1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine

C17H23N3 — CID 869112

IUPAC1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(CC2CCCCC2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H23N3/c1-13-16(15-10-6-3-7-11-15)17(18)20(19-13)12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12,18H2,1H3
InChIKeyUCWBNCMLLJZXJK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.02
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine

1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine (PubChem CID 869112) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine
PubChem CID869112
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(CC2CCCCC2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H23N3/c1-13-16(15-10-6-3-7-11-15)17(18)20(19-13)12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12,18H2,1H3
InChIKeyUCWBNCMLLJZXJK-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine (CID 869112) is 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine is Cc1nn(CC2CCCCC2)c(N)c1-c1ccccc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine?
The InChIKey is UCWBNCMLLJZXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-16(15-10-6-3-7-11-15)17(18)20(19-13)12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12,18H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine?
1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine has a molecular weight of 269.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 869112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).