N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide

C13H22N4O — CID 113360016

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(CN)CCCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-17-8-11(7-16-17)12(18)15-10-13(9-14)5-3-2-4-6-13/h7-8H,2-6,9-10,14H2,1H3,(H,15,18)
InChIKeyVWPXXCZBOQQMNV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.06
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 113360016) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID113360016
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(CN)CCCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-17-8-11(7-16-17)12(18)15-10-13(9-14)5-3-2-4-6-13/h7-8H,2-6,9-10,14H2,1H3,(H,15,18)
InChIKeyVWPXXCZBOQQMNV-UHFFFAOYSA-N
XLogP1.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 115364123
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
CID 119259808
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-methylpyrazole-4-carboxamide
CID 114758126
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424
[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone
CID 116600837
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylpyrazol-4-amine
CID 103568795
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide (CID 113360016) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(CN)CCCCC2)cn1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VWPXXCZBOQQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-8-11(7-16-17)12(18)15-10-13(9-14)5-3-2-4-6-13/h7-8H,2-6,9-10,14H2,1H3,(H,15,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113360016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).