[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine

C16H21N3 — CID 82482333

IUPAC[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(C3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C16H21N3/c17-11-15-10-16(19-18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-10,12H,1-5,11,17H2,(H,18,19)
InChIKeyKMKNSZHECBBHJY-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.58
Rot. Bonds3

About [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine

[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82482333) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID82482333
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(C3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C16H21N3/c17-11-15-10-16(19-18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-10,12H,1-5,11,17H2,(H,18,19)
InChIKeyKMKNSZHECBBHJY-UHFFFAOYSA-N
XLogP3.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 82483039
[4-(4-cyclohexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82299703
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole
CID 136926436
[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82472441
(4-cyclohexylphenyl)methanamine
CID 22246867
4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
CID 54853416
[2-(4-cyclohexylphenyl)phenyl]methanamine
CID 63423765
[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360101
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82120366
[6-(4-cyclopropylphenyl)pyrimidin-4-yl]methanamine
CID 118008230

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine (CID 82482333) is [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine is NCc1cc(-c2ccc(C3CCCCC3)cc2)n[nH]1.
What is the InChIKey of [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is KMKNSZHECBBHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-11-15-10-16(19-18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-10,12H,1-5,11,17H2,(H,18,19).
What are the key properties of [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine?
[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82482333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).