N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide

C10H13N5O — CID 103862758

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2cn(C)cn2)n[nH]1
InChIInChI=1S/C10H13N5O/c1-3-7-4-9(14-13-7)12-10(16)8-5-15(2)6-11-8/h4-6H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyOQEKSLTUGAJSSL-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.96
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide (PubChem CID 103862758) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
PubChem CID103862758
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2cn(C)cn2)n[nH]1
InChIInChI=1S/C10H13N5O/c1-3-7-4-9(14-13-7)12-10(16)8-5-15(2)6-11-8/h4-6H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyOQEKSLTUGAJSSL-UHFFFAOYSA-N
XLogP0.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide (CID 103862758) is N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide is CCc1cc(NC(=O)c2cn(C)cn2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide?
The InChIKey is OQEKSLTUGAJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-3-7-4-9(14-13-7)12-10(16)8-5-15(2)6-11-8/h4-6H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103862758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).