2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid

C12H11ClN4O3 — CID 61019050

IUPAC2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H11ClN4O3/c13-8-2-1-3-9(4-8)15-12(20)16-10-5-14-17(6-10)7-11(18)19/h1-6H,7H2,(H,18,19)(H2,15,16,20)
InChIKeyCRMBMITWHYRUSV-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 61019050) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID61019050
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H11ClN4O3/c13-8-2-1-3-9(4-8)15-12(20)16-10-5-14-17(6-10)7-11(18)19/h1-6H,7H2,(H,18,19)(H2,15,16,20)
InChIKeyCRMBMITWHYRUSV-UHFFFAOYSA-N
XLogP2.27
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 65499226
2-[4-[(3-chloro-2-methylphenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61182770
2-[4-[(2,6-dibromophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107601737
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447957
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-[3-(3-chloroanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482990
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 106238927
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid (CID 61019050) is 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is CRMBMITWHYRUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c13-8-2-1-3-9(4-8)15-12(20)16-10-5-14-17(6-10)7-11(18)19/h1-6H,7H2,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 294.70 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61019050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).