3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide

C18H21N5O — CID 71537370

IUPAC3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide
SMILESN#CCC(C1CCCC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C18H21N5O/c19-11-10-16(13-6-4-5-7-13)23-12-15(17(20)24)18(22-23)21-14-8-2-1-3-9-14/h1-3,8-9,12-13,16H,4-7,10H2,(H2,20,24)(H,21,22)
InChIKeyNATLUEQWLZWXPX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.37
Rot. Bonds6

About 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide

3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide (PubChem CID 71537370) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide
PubChem CID71537370
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide
SMILESN#CCC(C1CCCC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C18H21N5O/c19-11-10-16(13-6-4-5-7-13)23-12-15(17(20)24)18(22-23)21-14-8-2-1-3-9-14/h1-3,8-9,12-13,16H,4-7,10H2,(H2,20,24)(H,21,22)
InChIKeyNATLUEQWLZWXPX-UHFFFAOYSA-N
XLogP3.37
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide (CID 71537370) is 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide is N#CCC(C1CCCC1)n1cc(C(N)=O)c(Nc2ccccc2)n1.
What is the InChIKey of 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide?
The InChIKey is NATLUEQWLZWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-11-10-16(13-6-4-5-7-13)23-12-15(17(20)24)18(22-23)21-14-8-2-1-3-9-14/h1-3,8-9,12-13,16H,4-7,10H2,(H2,20,24)(H,21,22).
What are the key properties of 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide?
3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(2-cyano-1-cyclopentylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71537370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).