5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid

C12H10N4O5 — CID 59235575

IUPAC5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
SMILESNC(=O)c1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1N
InChIInChI=1S/C12H10N4O5/c13-9-8(10(14)17)4-15-16(9)7-2-5(11(18)19)1-6(3-7)12(20)21/h1-4H,13H2,(H2,14,17)(H,18,19)(H,20,21)
InChIKeyOGAJXFCNEDLMMU-UHFFFAOYSA-N
MW290.24 g/mol
LogP-0.05
Rot. Bonds4

About 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid

5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid (PubChem CID 59235575) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
PubChem CID59235575
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
SMILESNC(=O)c1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1N
InChIInChI=1S/C12H10N4O5/c13-9-8(10(14)17)4-15-16(9)7-2-5(11(18)19)1-6(3-7)12(20)21/h1-4H,13H2,(H2,14,17)(H,18,19)(H,20,21)
InChIKeyOGAJXFCNEDLMMU-UHFFFAOYSA-N
XLogP-0.05
TPSA161.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-amino-4-cyano-1H-pyrazol-1-yl)benzoic acid
CID 2451195
3-(5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl)benzoic acid
CID 16777272
2-[(5-Amino-1-methylpyrazole-4-carbonyl)amino]-5-fluorobenzoic acid
CID 82546156
3-[4-cyano-5-(2,2,2-trifluoroacetamido)-1H-pyrazol-1-yl]benzoic acid
CID 165757167
5-(5-Amino-4-carbamoylpyrazol-1-yl)-2-chlorobenzoic acid;sulfuric acid
CID 16243579
4-[5-amino-4-(methoxycarbonyl)-1H-pyrazol-1-yl]benzoic acid
CID 46261153
Benzoic acid, 3-(3-amino-1H-pyrazol-1-yl)-
CID 91692344
3-[5-Amino-4-(3-iodobenzoyl)-pyrazol-1-yl]-4-methylbenzoic acid
CID 11155072
3-(5-amino-4-benzoyl-1H-pyrazol-1-yl)-4-methylbenzoic acid
CID 11209438
2-((1-Ethyl-1H-pyrazol-5-yl)amino)benzoic acid
CID 15427468
3-(5-amino-4-cyano-1H-pyrazol-1-yl)benzoic acid
CID 16772929
5-Amino-1-(3-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 18613080

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid (CID 59235575) is 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid is NC(=O)c1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1N.
What is the InChIKey of 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
The InChIKey is OGAJXFCNEDLMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c13-9-8(10(14)17)4-15-16(9)7-2-5(11(18)19)1-6(3-7)12(20)21/h1-4H,13H2,(H2,14,17)(H,18,19)(H,20,21).
What are the key properties of 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid has a molecular weight of 290.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-4-carbamoylpyrazol-1-yl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 59235575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).