3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

C17H23N3 — CID 43775489

IUPAC3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C17H23N3/c1-14-4-2-5-16(12-14)18-13-15-6-8-17(9-7-15)20-11-3-10-19-20/h3,6-11,14,16,18H,2,4-5,12-13H2,1H3
InChIKeyGTQBYEPWJMOSQI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.54
Rot. Bonds4

About 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 43775489) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID43775489
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C17H23N3/c1-14-4-2-5-16(12-14)18-13-15-6-8-17(9-7-15)20-11-3-10-19-20/h3,6-11,14,16,18H,2,4-5,12-13H2,1H3
InChIKeyGTQBYEPWJMOSQI-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 63994271
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-3-amine
CID 63923324
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 79857291
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115584748
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
CID 59549594
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (CID 43775489) is 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is CC1CCCC(NCc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is GTQBYEPWJMOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-4-2-5-16(12-14)18-13-15-6-8-17(9-7-15)20-11-3-10-19-20/h3,6-11,14,16,18H,2,4-5,12-13H2,1H3.
What are the key properties of 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43775489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).