2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid

C12H12N4O4 — CID 107209397

IUPAC2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
SMILESCOc1cc(NC(=O)Nc2cn[nH]c2)ccc1C(=O)O
InChIInChI=1S/C12H12N4O4/c1-20-10-4-7(2-3-9(10)11(17)18)15-12(19)16-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,17,18)(H2,15,16,19)
InChIKeyQPRRBSYUDZYEIB-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.76
Rot. Bonds4

About 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid

2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid (PubChem CID 107209397) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
PubChem CID107209397
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
SMILESCOc1cc(NC(=O)Nc2cn[nH]c2)ccc1C(=O)O
InChIInChI=1S/C12H12N4O4/c1-20-10-4-7(2-3-9(10)11(17)18)15-12(19)16-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,17,18)(H2,15,16,19)
InChIKeyQPRRBSYUDZYEIB-UHFFFAOYSA-N
XLogP1.76
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic 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

1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
CID 166194501
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107208827
4-(1H-imidazol-5-ylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 107209504
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-2-methoxybenzoic acid
CID 107209399
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
2-methoxy-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 107209358
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
2,4-difluoro-5-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 61210040
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid?
The IUPAC name of 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid (CID 107209397) is 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid is COc1cc(NC(=O)Nc2cn[nH]c2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid?
The InChIKey is QPRRBSYUDZYEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-20-10-4-7(2-3-9(10)11(17)18)15-12(19)16-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,17,18)(H2,15,16,19).
What are the key properties of 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid?
2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid has a molecular weight of 276.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 107209397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).