5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid

C13H14N4O4 — CID 115412093

IUPAC5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
SMILESCOc1ccc(NC(=O)Nc2cnn(C)c2)c(C(=O)O)c1
InChIInChI=1S/C13H14N4O4/c1-17-7-8(6-14-17)15-13(20)16-11-4-3-9(21-2)5-10(11)12(18)19/h3-7H,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyHNYZETIQRXDJAW-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.77
Rot. Bonds4

About 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid

5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid (PubChem CID 115412093) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
PubChem CID115412093
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
SMILESCOc1ccc(NC(=O)Nc2cnn(C)c2)c(C(=O)O)c1
InChIInChI=1S/C13H14N4O4/c1-17-7-8(6-14-17)15-13(20)16-11-4-3-9(21-2)5-10(11)12(18)19/h3-7H,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyHNYZETIQRXDJAW-UHFFFAOYSA-N
XLogP1.77
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[(1-methylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 115412123
2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 107795953
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid
CID 114913116
1-(2-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)urea
CID 47264478
2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
CID 113305078
5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 115412185
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine
CID 175150207
5-methoxy-2-(3-methylbut-2-enylcarbamoylamino)benzoic acid
CID 106191120

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid?
The IUPAC name of 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid (CID 115412093) is 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid is COc1ccc(NC(=O)Nc2cnn(C)c2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid?
The InChIKey is HNYZETIQRXDJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-17-7-8(6-14-17)15-13(20)16-11-4-3-9(21-2)5-10(11)12(18)19/h3-7H,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid?
5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid has a molecular weight of 290.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 115412093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).