4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine

C13H23N3 — CID 115651935

IUPAC4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCCCn2cccn2)CC1
InChIInChI=1S/C13H23N3/c1-12-4-6-13(7-5-12)14-8-2-10-16-11-3-9-15-16/h3,9,11-14H,2,4-8,10H2,1H3
InChIKeyWLHVFHNZNKLDHB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.44
Rot. Bonds5

About 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine

4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine (PubChem CID 115651935) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
PubChem CID115651935
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
SMILESCC1CCC(NCCCn2cccn2)CC1
InChIInChI=1S/C13H23N3/c1-12-4-6-13(7-5-12)14-8-2-10-16-11-3-9-15-16/h3,9,11-14H,2,4-8,10H2,1H3
InChIKeyWLHVFHNZNKLDHB-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
CID 43596290
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
CID 107907905
cis-(1R,3S)-3-(3-pyrazol-1-ylpropylamino)cyclohexane-1-carbonitrile
CID 99777730
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
CID 103263462
1-ethyl-3-(4-methylcyclohexyl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111257175
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 91636175
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine (CID 115651935) is 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine is CC1CCC(NCCCn2cccn2)CC1.
What is the InChIKey of 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
The InChIKey is WLHVFHNZNKLDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12-4-6-13(7-5-12)14-8-2-10-16-11-3-9-15-16/h3,9,11-14H,2,4-8,10H2,1H3.
What are the key properties of 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 115651935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).