[4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine

C24H28FN3 — CID 174639079

IUPAC[4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine
SMILESCc1c(-c2ccccc2)c(-c2ccc(CN)cc2F)nn1CC1CCCCC1
InChIInChI=1S/C24H28FN3/c1-17-23(20-10-6-3-7-11-20)24(21-13-12-19(15-26)14-22(21)25)27-28(17)16-18-8-4-2-5-9-18/h3,6-7,10-14,18H,2,4-5,8-9,15-16,26H2,1H3
InChIKeyDWXPYJHCMZJPSU-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.70
Rot. Bonds5

About [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine

[4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine (PubChem CID 174639079) has the molecular formula C24H28FN3 and a molecular weight of 377.51 g/mol. Its IUPAC name is [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine
PubChem CID174639079
Molecular FormulaC24H28FN3
Molecular Weight377.51 g/mol
Exact Mass377.23
IUPAC Name[4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine
SMILESCc1c(-c2ccccc2)c(-c2ccc(CN)cc2F)nn1CC1CCCCC1
InChIInChI=1S/C24H28FN3/c1-17-23(20-10-6-3-7-11-20)24(21-13-12-19(15-26)14-22(21)25)27-28(17)16-18-8-4-2-5-9-18/h3,6-7,10-14,18H,2,4-5,8-9,15-16,26H2,1H3
InChIKeyDWXPYJHCMZJPSU-UHFFFAOYSA-N
XLogP5.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine (CID 174639079) is [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine is Cc1c(-c2ccccc2)c(-c2ccc(CN)cc2F)nn1CC1CCCCC1.
What is the InChIKey of [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine?
The InChIKey is DWXPYJHCMZJPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3/c1-17-23(20-10-6-3-7-11-20)24(21-13-12-19(15-26)14-22(21)25)27-28(17)16-18-8-4-2-5-9-18/h3,6-7,10-14,18H,2,4-5,8-9,15-16,26H2,1H3.
What are the key properties of [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine?
[4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine has a molecular weight of 377.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 174639079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).