1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide

C14H24N4O — CID 112701607

IUPAC1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-2-6-14(15,11-12)13(19)16-7-3-9-18-10-4-8-17-18/h4,8,10,12H,2-3,5-7,9,11,15H2,1H3,(H,16,19)
InChIKeyNTEPDJRVTAKQTI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.30
Rot. Bonds5

About 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide

1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 112701607) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID112701607
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-2-6-14(15,11-12)13(19)16-7-3-9-18-10-4-8-17-18/h4,8,10,12H,2-3,5-7,9,11,15H2,1H3,(H,16,19)
InChIKeyNTEPDJRVTAKQTI-UHFFFAOYSA-N
XLogP1.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
CID 106390906
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
CID 64552335
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80587901
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
CID 64550257
1-amino-N-[3-(diethylamino)-3-oxopropyl]-3-methylcyclohexane-1-carboxamide
CID 64549217
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide (CID 112701607) is 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCCn2cccn2)C1.
What is the InChIKey of 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is NTEPDJRVTAKQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-5-2-6-14(15,11-12)13(19)16-7-3-9-18-10-4-8-17-18/h4,8,10,12H,2-3,5-7,9,11,15H2,1H3,(H,16,19).
What are the key properties of 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112701607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).