1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

C13H11ClN4OS — CID 126947579

IUPAC1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(C(=O)c3ccc(Cl)s3)C2)c1
InChIInChI=1S/C13H11ClN4OS/c14-12-2-1-11(20-12)13(19)17-4-3-10(8-17)18-7-9(5-15)6-16-18/h1-2,6-7,10H,3-4,8H2
InChIKeyXUDXTWRIKDMSCS-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.56
Rot. Bonds2

About 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947579) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947579
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(C(=O)c3ccc(Cl)s3)C2)c1
InChIInChI=1S/C13H11ClN4OS/c14-12-2-1-11(20-12)13(19)17-4-3-10(8-17)18-7-9(5-15)6-16-18/h1-2,6-7,10H,3-4,8H2
InChIKeyXUDXTWRIKDMSCS-UHFFFAOYSA-N
XLogP2.56
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile 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

1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947583
tert-butyl (3S)-3-(4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
CID 172557595
1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947621
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811
1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900489
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650696
(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805511

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947579) is 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CCN(C(=O)c3ccc(Cl)s3)C2)c1.
What is the InChIKey of 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is XUDXTWRIKDMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-12-2-1-11(20-12)13(19)17-4-3-10(8-17)18-7-9(5-15)6-16-18/h1-2,6-7,10H,3-4,8H2.
What are the key properties of 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 306.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).