1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine

C16H21N3 — CID 599772

IUPAC1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(C2CCCCC2)c(N)c1-c1ccccc1
InChIInChI=1S/C16H21N3/c1-12-15(13-8-4-2-5-9-13)16(17)19(18-12)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11,17H2,1H3
InChIKeyBONOUDQPFOSBEM-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.95
Rot. Bonds2

About 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine

1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine (PubChem CID 599772) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine
PubChem CID599772
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(C2CCCCC2)c(N)c1-c1ccccc1
InChIInChI=1S/C16H21N3/c1-12-15(13-8-4-2-5-9-13)16(17)19(18-12)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11,17H2,1H3
InChIKeyBONOUDQPFOSBEM-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine (CID 599772) is 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine is Cc1nn(C2CCCCC2)c(N)c1-c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine?
The InChIKey is BONOUDQPFOSBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-15(13-8-4-2-5-9-13)16(17)19(18-12)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11,17H2,1H3.
What are the key properties of 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine?
1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine has a molecular weight of 255.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 599772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).