1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid

C15H10ClN3O3S — CID 146131089

IUPAC1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(NC(=O)c3ccc(Cl)s3)c2)n1
InChIInChI=1S/C15H10ClN3O3S/c16-13-5-4-12(23-13)14(20)17-9-2-1-3-10(8-9)19-7-6-11(18-19)15(21)22/h1-8H,(H,17,20)(H,21,22)
InChIKeySGJRMDPUYONLOP-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.54
Rot. Bonds4

About 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid

1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 146131089) has the molecular formula C15H10ClN3O3S and a molecular weight of 347.78 g/mol. Its IUPAC name is 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid
PubChem CID146131089
Molecular FormulaC15H10ClN3O3S
Molecular Weight347.78 g/mol
Exact Mass347.01
IUPAC Name1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(NC(=O)c3ccc(Cl)s3)c2)n1
InChIInChI=1S/C15H10ClN3O3S/c16-13-5-4-12(23-13)14(20)17-9-2-1-3-10(8-9)19-7-6-11(18-19)15(21)22/h1-8H,(H,17,20)(H,21,22)
InChIKeySGJRMDPUYONLOP-UHFFFAOYSA-N
XLogP3.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 75417973
5-chloro-N-(3-pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 142392244
1-(3-iodophenyl)pyrazole-3-carboxylic acid
CID 28977651
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43358268
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide
CID 52692836
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 122300304
5-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 47265686

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid (CID 146131089) is 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2cccc(NC(=O)c3ccc(Cl)s3)c2)n1.
What is the InChIKey of 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is SGJRMDPUYONLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3S/c16-13-5-4-12(23-13)14(20)17-9-2-1-3-10(8-9)19-7-6-11(18-19)15(21)22/h1-8H,(H,17,20)(H,21,22).
What are the key properties of 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid?
1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 347.78 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 146131089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).