1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine

C123H184ClN27 — CID 158116666

IUPAC1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine
SMILESCC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)nn1.CC(C)(C)n1cc([C@H]2CCCN2)nn1.CC(C)C1=C(Cl)c2ccncc2C1.CC(C)C1=Cc2ccncc2C1.CC(C)c1cc2c(cn1)C=CC2.CC(C)c1cnc2c(c1)CC=C2.CC1=C(C(C)C)Cc2cnccc21.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.Cc1nc2c(cc1C(C)C)CC=C2
InChIInChI=1S/2C12H15N.C11H12ClN.3C11H13N.2C10H18N4.C10H19N3.C9H17N3.C8H16N4.C8H15N3/c1-8(2)12-6-10-7-13-5-4-11(10)9(12)3;1-8(2)11-7-10-5-4-6-12(10)13-9(11)3;1-7(2)10-5-8-6-13-4-3-9(8)11(10)12;1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)11-6-9-4-3-5-10(9)7-12-11;2*1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-10(2,3)13-8-9(6-11-13)7-12(4)5;1-9(2,3)12-7-8(5-10-4)6-11-12;1-8(2,3)12-6-7(5-9-4)10-11-12;1-8(2,3)11-6-7(4-9)5-10-11/h4-5,7-8H,6H2,1-3H3;4,6-8H,5H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*3,5-8H,4H2,1-2H3;2*7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;6-7,10H,5H2,1-4H3;6,9H,5H2,1-4H3;5-6H,4,9H2,1-3H3/t;;;;;;2*8-;;;;/m......10..../s1
InChIKeyFRCAZIQDUCRBDX-GYVDPPDBSA-N
MW2076.47 g/mol
LogP25.44
Rot. Bonds15

About 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine

1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine (PubChem CID 158116666) has the molecular formula C123H184ClN27 and a molecular weight of 2076.47 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine
PubChem CID158116666
Molecular FormulaC123H184ClN27
Molecular Weight2076.47 g/mol
Exact Mass2074.49
IUPAC Name1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine
SMILESCC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)nn1.CC(C)(C)n1cc([C@H]2CCCN2)nn1.CC(C)C1=C(Cl)c2ccncc2C1.CC(C)C1=Cc2ccncc2C1.CC(C)c1cc2c(cn1)C=CC2.CC(C)c1cnc2c(c1)CC=C2.CC1=C(C(C)C)Cc2cnccc21.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.Cc1nc2c(cc1C(C)C)CC=C2
InChIInChI=1S/2C12H15N.C11H12ClN.3C11H13N.2C10H18N4.C10H19N3.C9H17N3.C8H16N4.C8H15N3/c1-8(2)12-6-10-7-13-5-4-11(10)9(12)3;1-8(2)11-7-10-5-4-6-12(10)13-9(11)3;1-7(2)10-5-8-6-13-4-3-9(8)11(10)12;1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)11-6-9-4-3-5-10(9)7-12-11;2*1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-10(2,3)13-8-9(6-11-13)7-12(4)5;1-9(2,3)12-7-8(5-10-4)6-11-12;1-8(2,3)12-6-7(5-9-4)10-11-12;1-8(2,3)11-6-7(4-9)5-10-11/h4-5,7-8H,6H2,1-3H3;4,6-8H,5H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*3,5-8H,4H2,1-2H3;2*7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;6-7,10H,5H2,1-4H3;6,9H,5H2,1-4H3;5-6H,4,9H2,1-3H3/t;;;;;;2*8-;;;;/m......10..../s1
InChIKeyFRCAZIQDUCRBDX-GYVDPPDBSA-N
XLogP25.44
TPSA300.31 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002076.47
LogP ≤ 525.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine?
The IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine (CID 158116666) is 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine?
The canonical SMILES for 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine is CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)nn1.CC(C)(C)n1cc([C@H]2CCCN2)nn1.CC(C)C1=C(Cl)c2ccncc2C1.CC(C)C1=Cc2ccncc2C1.CC(C)c1cc2c(cn1)C=CC2.CC(C)c1cnc2c(c1)CC=C2.CC1=C(C(C)C)Cc2cnccc21.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.Cc1nc2c(cc1C(C)C)CC=C2.
What is the InChIKey of 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine?
The InChIKey is FRCAZIQDUCRBDX-GYVDPPDBSA-N. The full InChI is InChI=1S/2C12H15N.C11H12ClN.3C11H13N.2C10H18N4.C10H19N3.C9H17N3.C8H16N4.C8H15N3/c1-8(2)12-6-10-7-13-5-4-11(10)9(12)3;1-8(2)11-7-10-5-4-6-12(10)13-9(11)3;1-7(2)10-5-8-6-13-4-3-9(8)11(10)12;1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)11-6-9-4-3-5-10(9)7-12-11;2*1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-10(2,3)13-8-9(6-11-13)7-12(4)5;1-9(2,3)12-7-8(5-10-4)6-11-12;1-8(2,3)12-6-7(5-9-4)10-11-12;1-8(2,3)11-6-7(4-9)5-10-11/h4-5,7-8H,6H2,1-3H3;4,6-8H,5H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*3,5-8H,4H2,1-2H3;2*7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;6-7,10H,5H2,1-4H3;6,9H,5H2,1-4H3;5-6H,4,9H2,1-3H3/t;;;;;;2*8-;;;;/m......10..../s1.
What are the key properties of 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine?
1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine has a molecular weight of 2076.47 g/mol, XLogP of 25.44, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine;5-chloro-6-propan-2-yl-7H-cyclopenta[c]pyridine;2-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridine;5-methyl-6-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine is sourced from PubChem (CID 158116666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).