5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine

C17H23N3 — CID 117427035

IUPAC5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine
SMILESCC1(C)CCC(c2ccccc2-c2cc(N)n[nH]2)CC1
InChIInChI=1S/C17H23N3/c1-17(2)9-7-12(8-10-17)13-5-3-4-6-14(13)15-11-16(18)20-19-15/h3-6,11-12H,7-10H2,1-2H3,(H3,18,19,20)
InChIKeyWYCRCLFCZIQVAG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.34
Rot. Bonds2

About 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine

5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117427035) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117427035
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine
SMILESCC1(C)CCC(c2ccccc2-c2cc(N)n[nH]2)CC1
InChIInChI=1S/C17H23N3/c1-17(2)9-7-12(8-10-17)13-5-3-4-6-14(13)15-11-16(18)20-19-15/h3-6,11-12H,7-10H2,1-2H3,(H3,18,19,20)
InChIKeyWYCRCLFCZIQVAG-UHFFFAOYSA-N
XLogP4.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
CID 88558873
3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
CID 117455824
5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
CID 117329052
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
CID 117354737
5-(2-cyclopentyloxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117435982
5-[2-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazol-3-amine
CID 117447698
5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117358203
1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea
CID 117334161
4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one
CID 117305337

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine (CID 117427035) is 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine is CC1(C)CCC(c2ccccc2-c2cc(N)n[nH]2)CC1.
What is the InChIKey of 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is WYCRCLFCZIQVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)9-7-12(8-10-17)13-5-3-4-6-14(13)15-11-16(18)20-19-15/h3-6,11-12H,7-10H2,1-2H3,(H3,18,19,20).
What are the key properties of 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine?
5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 269.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117427035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).