3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine

C16H21N3 — CID 82120366

IUPAC3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]nc(-c2ccc(C3CCCCC3)cc2)c1N
InChIInChI=1S/C16H21N3/c1-11-15(17)16(19-18-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,17H2,1H3,(H,18,19)
InChIKeyAQYRCLLCZMVVRV-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.02
Rot. Bonds2

About 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine

3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 82120366) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID82120366
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]nc(-c2ccc(C3CCCCC3)cc2)c1N
InChIInChI=1S/C16H21N3/c1-11-15(17)16(19-18-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,17H2,1H3,(H,18,19)
InChIKeyAQYRCLLCZMVVRV-UHFFFAOYSA-N
XLogP4.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine
CID 82487360
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole
CID 91429173
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82482333
2-(4-cyclohexylphenyl)-4-methylaniline
CID 63424368
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
5-(4-cyclohexylphenyl)pyridin-2-amine
CID 62491509
2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine
CID 79972611
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine (CID 82120366) is 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine is Cc1[nH]nc(-c2ccc(C3CCCCC3)cc2)c1N.
What is the InChIKey of 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is AQYRCLLCZMVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-15(17)16(19-18-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,17H2,1H3,(H,18,19).
What are the key properties of 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine?
3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 82120366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).