1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine

C17H23N3 — CID 766802

IUPAC1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(CC3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N3/c1-13-7-9-15(10-8-13)16-11-17(18)20(19-16)12-14-5-3-2-4-6-14/h7-11,14H,2-6,12,18H2,1H3
InChIKeyXOCTTZPPBIQLGW-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.02
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine

1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine (PubChem CID 766802) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine
PubChem CID766802
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(CC3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N3/c1-13-7-9-15(10-8-13)16-11-17(18)20(19-16)12-14-5-3-2-4-6-14/h7-11,14H,2-6,12,18H2,1H3
InChIKeyXOCTTZPPBIQLGW-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenzoquat
CID 39425
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 778073
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine (CID 766802) is 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(CC3CCCCC3)n2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is XOCTTZPPBIQLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-9-15(10-8-13)16-11-17(18)20(19-16)12-14-5-3-2-4-6-14/h7-11,14H,2-6,12,18H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine?
1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 269.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 766802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).