3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid

C12H11N5O4 — CID 64528846

IUPAC3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESNC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C12H11N5O4/c13-12(21)14-7-3-1-6(2-4-7)10(18)15-9-5-8(11(19)20)16-17-9/h1-5H,(H,19,20)(H3,13,14,21)(H2,15,16,17,18)
InChIKeyILZPOKQMWLQONS-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.85
Rot. Bonds4

About 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528846) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528846
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESNC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C12H11N5O4/c13-12(21)14-7-3-1-6(2-4-7)10(18)15-9-5-8(11(19)20)16-17-9/h1-5H,(H,19,20)(H3,13,14,21)(H2,15,16,17,18)
InChIKeyILZPOKQMWLQONS-UHFFFAOYSA-N
XLogP0.85
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 79685939
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526472

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64528846) is 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid is NC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1.
What is the InChIKey of 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is ILZPOKQMWLQONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c13-12(21)14-7-3-1-6(2-4-7)10(18)15-9-5-8(11(19)20)16-17-9/h1-5H,(H,19,20)(H3,13,14,21)(H2,15,16,17,18).
What are the key properties of 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).