4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid

C11H13N5O3 — CID 113412435

IUPAC4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(NCCCn1cccn1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H13N5O3/c17-10(8-9(11(18)19)14-7-13-8)12-3-1-5-16-6-2-4-15-16/h2,4,6-7H,1,3,5H2,(H,12,17)(H,13,14)(H,18,19)
InChIKeyYQAPITSRQBWSAS-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.12
Rot. Bonds6

About 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid

4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 113412435) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
PubChem CID113412435
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(NCCCn1cccn1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H13N5O3/c17-10(8-9(11(18)19)14-7-13-8)12-3-1-5-16-6-2-4-15-16/h2,4,6-7H,1,3,5H2,(H,12,17)(H,13,14)(H,18,19)
InChIKeyYQAPITSRQBWSAS-UHFFFAOYSA-N
XLogP0.12
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 113413256
3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37392558
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
ethyl 2,4-dimethyl-5-(3-pyrazol-1-ylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 37393923

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid (CID 113412435) is 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid is O=C(NCCCn1cccn1)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is YQAPITSRQBWSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c17-10(8-9(11(18)19)14-7-13-8)12-3-1-5-16-6-2-4-15-16/h2,4,6-7H,1,3,5H2,(H,12,17)(H,13,14)(H,18,19).
What are the key properties of 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 113412435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).