5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

C16H16F3N5O2S — CID 10222558

IUPAC5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC2CCCC2)nc1
InChIInChI=1S/C16H16F3N5O2S/c1-27(25,26)11-6-7-13(21-9-11)24-15(22-10-4-2-3-5-10)12(8-20)14(23-24)16(17,18)19/h6-7,9-10,22H,2-5H2,1H3
InChIKeyNNZOZAOTFZCLGK-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.92
Rot. Bonds4

About 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 10222558) has the molecular formula C16H16F3N5O2S and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID10222558
Molecular FormulaC16H16F3N5O2S
Molecular Weight399.40 g/mol
Exact Mass399.10
IUPAC Name5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC2CCCC2)nc1
InChIInChI=1S/C16H16F3N5O2S/c1-27(25,26)11-6-7-13(21-9-11)24-15(22-10-4-2-3-5-10)12(8-20)14(23-24)16(17,18)19/h6-7,9-10,22H,2-5H2,1H3
InChIKeyNNZOZAOTFZCLGK-UHFFFAOYSA-N
XLogP2.92
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 10222558) is 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC2CCCC2)nc1.
What is the InChIKey of 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is NNZOZAOTFZCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S/c1-27(25,26)11-6-7-13(21-9-11)24-15(22-10-4-2-3-5-10)12(8-20)14(23-24)16(17,18)19/h6-7,9-10,22H,2-5H2,1H3.
What are the key properties of 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 399.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 10222558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).