5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid

C9H7ClN2O2S — CID 19620495

IUPAC5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Cl)cn2)s1
InChIInChI=1S/C9H7ClN2O2S/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyVPMAATJOBGLUDT-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.34
Rot. Bonds3

About 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid

5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 19620495) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID19620495
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Cl)cn2)s1
InChIInChI=1S/C9H7ClN2O2S/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyVPMAATJOBGLUDT-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
CID 178158051
2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 79765764
5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide
CID 164641204
5-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64780729
5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377869
5-[(4-chloropyrazol-1-yl)methyl]-N-[3-[(1,1-dioxothietane-2-carbonyl)amino]-4-phenylbutyl]thiophene-2-carboxamide
CID 166389669
5-(2-oxopropyl)thiophene-2-carboxylic acid
CID 58339018
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
5-[(4,5-dimethylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63378136
5-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carboxylic acid
CID 63378241
5-(iodomethyl)thiophene-2-carboxylic acid
CID 89145755

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid (CID 19620495) is 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2cc(Cl)cn2)s1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is VPMAATJOBGLUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid?
5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 242.69 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 19620495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).