3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

C18H25N3 — CID 64744640

IUPAC3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2ccccc2-n2cccn2)CC1C
InChIInChI=1S/C18H25N3/c1-14-8-9-17(12-15(14)2)19-13-16-6-3-4-7-18(16)21-11-5-10-20-21/h3-7,10-11,14-15,17,19H,8-9,12-13H2,1-2H3
InChIKeyGGUFLXUDJKABFR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.79
Rot. Bonds4

About 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 64744640) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID64744640
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2ccccc2-n2cccn2)CC1C
InChIInChI=1S/C18H25N3/c1-14-8-9-17(12-15(14)2)19-13-16-6-3-4-7-18(16)21-11-5-10-20-21/h3-7,10-11,14-15,17,19H,8-9,12-13H2,1-2H3
InChIKeyGGUFLXUDJKABFR-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (CID 64744640) is 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is CC1CCC(NCc2ccccc2-n2cccn2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is GGUFLXUDJKABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-8-9-17(12-15(14)2)19-13-16-6-3-4-7-18(16)21-11-5-10-20-21/h3-7,10-11,14-15,17,19H,8-9,12-13H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64744640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).