1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide

C14H24N4O — CID 102805583

IUPAC1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H24N4O/c1-10-4-6-14(9-15,7-5-10)13(19)16-12-8-18(3)17-11(12)2/h8,10H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeySGNSDWVUIZCKFL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds3

About 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 102805583) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID102805583
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H24N4O/c1-10-4-6-14(9-15,7-5-10)13(19)16-12-8-18(3)17-11(12)2/h8,10H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeySGNSDWVUIZCKFL-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide
CID 102804722
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide
CID 102804713
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
1-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441616
N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 103811485
1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441642
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
CID 113310541
1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441980

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide (CID 102805583) is 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide is Cc1nn(C)cc1NC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is SGNSDWVUIZCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-4-6-14(9-15,7-5-10)13(19)16-12-8-18(3)17-11(12)2/h8,10H,4-7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 102805583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).