3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine

C16H21N3 — CID 82088784

IUPAC3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-n1nc(C2CCCCC2)cc1N
InChIInChI=1S/C16H21N3/c1-12-7-5-6-10-15(12)19-16(17)11-14(18-19)13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9,17H2,1H3
InChIKeyIJCDNPGOOCSPGN-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.81
Rot. Bonds2

About 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine

3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine (PubChem CID 82088784) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine
PubChem CID82088784
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-n1nc(C2CCCCC2)cc1N
InChIInChI=1S/C16H21N3/c1-12-7-5-6-10-15(12)19-16(17)11-14(18-19)13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9,17H2,1H3
InChIKeyIJCDNPGOOCSPGN-UHFFFAOYSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine (CID 82088784) is 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine is Cc1ccccc1-n1nc(C2CCCCC2)cc1N.
What is the InChIKey of 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine?
The InChIKey is IJCDNPGOOCSPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-7-5-6-10-15(12)19-16(17)11-14(18-19)13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9,17H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine?
3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine has a molecular weight of 255.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 82088784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).