4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid

C10H11N5O3 — CID 104617296

IUPAC4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCCc1cc(NC(=O)c2nc[nH]c2C(=O)O)n[nH]1
InChIInChI=1S/C10H11N5O3/c1-2-5-3-6(15-14-5)13-9(16)7-8(10(17)18)12-4-11-7/h3-4H,2H2,1H3,(H,11,12)(H,17,18)(H2,13,14,15,16)
InChIKeyHRXPKANYSDGOIJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.65
Rot. Bonds4

About 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 104617296) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID104617296
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCCc1cc(NC(=O)c2nc[nH]c2C(=O)O)n[nH]1
InChIInChI=1S/C10H11N5O3/c1-2-5-3-6(15-14-5)13-9(16)7-8(10(17)18)12-4-11-7/h3-4H,2H2,1H3,(H,11,12)(H,17,18)(H2,13,14,15,16)
InChIKeyHRXPKANYSDGOIJ-UHFFFAOYSA-N
XLogP0.65
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 104617294
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104619583
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 107624813

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 104617296) is 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid is CCc1cc(NC(=O)c2nc[nH]c2C(=O)O)n[nH]1.
What is the InChIKey of 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is HRXPKANYSDGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-2-5-3-6(15-14-5)13-9(16)7-8(10(17)18)12-4-11-7/h3-4H,2H2,1H3,(H,11,12)(H,17,18)(H2,13,14,15,16).
What are the key properties of 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 104617296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).