5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

C16H17F3N4O3S — CID 22499661

IUPAC5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C=O)c2NC2CCCC2)cn1
InChIInChI=1S/C16H17F3N4O3S/c1-27(25,26)13-7-6-11(8-20-13)23-15(21-10-4-2-3-5-10)12(9-24)14(22-23)16(17,18)19/h6-10,21H,2-5H2,1H3
InChIKeyVBYISQBPBGHXCY-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.86
Rot. Bonds5

About 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 22499661) has the molecular formula C16H17F3N4O3S and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
PubChem CID22499661
Molecular FormulaC16H17F3N4O3S
Molecular Weight402.40 g/mol
Exact Mass402.10
IUPAC Name5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C=O)c2NC2CCCC2)cn1
InChIInChI=1S/C16H17F3N4O3S/c1-27(25,26)13-7-6-11(8-20-13)23-15(21-10-4-2-3-5-10)12(9-24)14(22-23)16(17,18)19/h6-10,21H,2-5H2,1H3
InChIKeyVBYISQBPBGHXCY-UHFFFAOYSA-N
XLogP2.86
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 22499646
5-[(4-methylcyclohexyl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22499672
N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 22499695
1-[5-(butan-2-ylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499538
5-(benzylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 22499566
sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine
CID 172937429
4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol
CID 106593692
5-[(2,6-dimethylpiperidin-1-yl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10203748
6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine
CID 54981712
1-(5-methylsulfonyl-2-pyridinyl)-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 10135176
2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one
CID 171100758
1-[5-(cyclohexylmethylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499765

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde (CID 22499661) is 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C=O)c2NC2CCCC2)cn1.
What is the InChIKey of 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is VBYISQBPBGHXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3S/c1-27(25,26)13-7-6-11(8-20-13)23-15(21-10-4-2-3-5-10)12(9-24)14(22-23)16(17,18)19/h6-10,21H,2-5H2,1H3.
What are the key properties of 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 402.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 22499661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).