2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol

C19H35N3O — CID 109482206

IUPAC2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC1(CCO)CCCCC1
InChIInChI=1S/C19H35N3O/c1-15-17(16(2)22(21-15)18(3,4)5)13-20-14-19(11-12-23)9-7-6-8-10-19/h20,23H,6-14H2,1-5H3
InChIKeyMPCIDWHOBJJTFW-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.68
Rot. Bonds6

About 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol

2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol (PubChem CID 109482206) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol
PubChem CID109482206
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC1(CCO)CCCCC1
InChIInChI=1S/C19H35N3O/c1-15-17(16(2)22(21-15)18(3,4)5)13-20-14-19(11-12-23)9-7-6-8-10-19/h20,23H,6-14H2,1-5H3
InChIKeyMPCIDWHOBJJTFW-UHFFFAOYSA-N
XLogP3.68
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol with MolForge

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Related Compounds

[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
2-[1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750158
N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 103741167
1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
CID 109482548
2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110007090
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol
CID 109482266
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 109482221
1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480928
3-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79219688
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 109479351
2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733135

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol?
The IUPAC name of 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol (CID 109482206) is 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol is Cc1nn(C(C)(C)C)c(C)c1CNCC1(CCO)CCCCC1.
What is the InChIKey of 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol?
The InChIKey is MPCIDWHOBJJTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-15-17(16(2)22(21-15)18(3,4)5)13-20-14-19(11-12-23)9-7-6-8-10-19/h20,23H,6-14H2,1-5H3.
What are the key properties of 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol?
2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol has a molecular weight of 321.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol is sourced from PubChem (CID 109482206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).