2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid

C13H12ClN3O3 — CID 19500472

IUPAC2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H12ClN3O3/c1-8-2-3-10(14)4-11(8)16-13(20)9-5-15-17(6-9)7-12(18)19/h2-6H,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyKIKMILADFULZSC-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.18
Rot. Bonds4

About 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid

2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500472) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500472
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H12ClN3O3/c1-8-2-3-10(14)4-11(8)16-13(20)9-5-15-17(6-9)7-12(18)19/h2-6H,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyKIKMILADFULZSC-UHFFFAOYSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500463
2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500505
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289358
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
2-[4-[[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500742
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 54909628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19500472) is 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid is Cc1ccc(Cl)cc1NC(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is KIKMILADFULZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-8-2-3-10(14)4-11(8)16-13(20)9-5-15-17(6-9)7-12(18)19/h2-6H,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 293.71 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).