1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C13H11ClN4OS — CID 47299668

IUPAC1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(NC1=NCCS1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClN4OS/c14-10-2-1-3-11(6-10)18-8-9(7-16-18)12(19)17-13-15-4-5-20-13/h1-3,6-8H,4-5H2,(H,15,17,19)
InChIKeyDZROXFXXMXRQKC-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.36
Rot. Bonds2

About 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 47299668) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID47299668
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(NC1=NCCS1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClN4OS/c14-10-2-1-3-11(6-10)18-8-9(7-16-18)12(19)17-13-15-4-5-20-13/h1-3,6-8H,4-5H2,(H,15,17,19)
InChIKeyDZROXFXXMXRQKC-UHFFFAOYSA-N
XLogP2.36
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
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N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
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CID 112845235
3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 47299668) is 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(NC1=NCCS1)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is DZROXFXXMXRQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-10-2-1-3-11(6-10)18-8-9(7-16-18)12(19)17-13-15-4-5-20-13/h1-3,6-8H,4-5H2,(H,15,17,19).
What are the key properties of 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 47299668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).