2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid

C19H14ClN3O4 — CID 19500505

IUPAC2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1
InChIInChI=1S/C19H14ClN3O4/c20-14-6-7-16(15(8-14)18(26)12-4-2-1-3-5-12)22-19(27)13-9-21-23(10-13)11-17(24)25/h1-10H,11H2,(H,22,27)(H,24,25)
InChIKeyKYAALOOJDVVWPG-UHFFFAOYSA-N
MW383.79 g/mol
LogP3.10
Rot. Bonds6

About 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid

2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500505) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500505
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1
InChIInChI=1S/C19H14ClN3O4/c20-14-6-7-16(15(8-14)18(26)12-4-2-1-3-5-12)22-19(27)13-9-21-23(10-13)11-17(24)25/h1-10H,11H2,(H,22,27)(H,24,25)
InChIKeyKYAALOOJDVVWPG-UHFFFAOYSA-N
XLogP3.10
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500463
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500472
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500506
N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19474995
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19543953
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19500505) is 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1.
What is the InChIKey of 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is KYAALOOJDVVWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-14-6-7-16(15(8-14)18(26)12-4-2-1-3-5-12)22-19(27)13-9-21-23(10-13)11-17(24)25/h1-10H,11H2,(H,22,27)(H,24,25).
What are the key properties of 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 383.79 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).