1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide

C13H22N4O — CID 64555262

IUPAC1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C13H22N4O/c1-9-4-3-5-13(14,6-9)12(18)15-7-11-8-16-17-10(11)2/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJZOMXACLTZPGCH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.24
Rot. Bonds3

About 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide

1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 64555262) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID64555262
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C13H22N4O/c1-9-4-3-5-13(14,6-9)12(18)15-7-11-8-16-17-10(11)2/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJZOMXACLTZPGCH-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095591
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 106370912
1-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80598871
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 110438266
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
4-(N'-hydroxycarbamimidoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxane-4-carboxamide
CID 76921523
4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115239
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide (CID 64555262) is 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide is Cc1[nH]ncc1CNC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is JZOMXACLTZPGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-4-3-5-13(14,6-9)12(18)15-7-11-8-16-17-10(11)2/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide?
1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64555262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).