5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid

C5H6N4O3 — CID 163689145

IUPAC5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C5H6N4O3/c6-5(12)8-3-2(4(10)11)1-7-9-3/h1H,(H,10,11)(H4,6,7,8,9,12)
InChIKeyJRLMHJZFFOVDHK-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.40
Rot. Bonds2

About 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid

5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 163689145) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID163689145
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C5H6N4O3/c6-5(12)8-3-2(4(10)11)1-7-9-3/h1H,(H,10,11)(H4,6,7,8,9,12)
InChIKeyJRLMHJZFFOVDHK-UHFFFAOYSA-N
XLogP-0.40
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-(carbamoylamino)-1H-pyrazole-4-carboxylic 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

5-(oxaloamino)-1H-pyrazole-4-carboxylic acid
CID 45089514
5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid
CID 110481397
5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid
CID 110483477
1H-pyrazole-4,5-dicarboxylic acid
CID 3998064
5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid
CID 110483663
4-carbamoyl-1H-pyrazole-5-carboxylic acid
CID 152609606
5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
CID 110483619
5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481950
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride
CID 175742670
5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62904001
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 79503212

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid (CID 163689145) is 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid is NC(=O)Nc1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is JRLMHJZFFOVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-5(12)8-3-2(4(10)11)1-7-9-3/h1H,(H,10,11)(H4,6,7,8,9,12).
What are the key properties of 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid?
5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 170.13 g/mol, XLogP of -0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 163689145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).