N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine

C20H31N5 — CID 51105393

IUPACN,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H31N5/c1-16-19(20(23(2)3)24(4)22-16)15-21-14-17-8-10-18(11-9-17)25-12-6-5-7-13-25/h8-11,21H,5-7,12-15H2,1-4H3
InChIKeyUGSWVUBKWONTQP-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.07
Rot. Bonds6

About N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine (PubChem CID 51105393) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
PubChem CID51105393
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC NameN,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H31N5/c1-16-19(20(23(2)3)24(4)22-16)15-21-14-17-8-10-18(11-9-17)25-12-6-5-7-13-25/h8-11,21H,5-7,12-15H2,1-4H3
InChIKeyUGSWVUBKWONTQP-UHFFFAOYSA-N
XLogP3.07
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51104874
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
4-[[(2-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104667
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine
CID 94823229
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104795
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63280078
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine
CID 51105107
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride
CID 51105339
(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 95284907

Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine (CID 51105393) is N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine?
The InChIKey is UGSWVUBKWONTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-16-19(20(23(2)3)24(4)22-16)15-21-14-17-8-10-18(11-9-17)25-12-6-5-7-13-25/h8-11,21H,5-7,12-15H2,1-4H3.
What are the key properties of N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine has a molecular weight of 341.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine is sourced from PubChem (CID 51105393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).