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

C9H8N6O — CID 103510956

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H8N6O/c1-15-5-11-4-7(15)9(16)13-8-6(2-10)3-12-14-8/h3-5H,1H3,(H2,12,13,14,16)
InChIKeyQMMRFYCKJRBZKT-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.27
Rot. Bonds2

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

N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide (PubChem CID 103510956) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide
PubChem CID103510956
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H8N6O/c1-15-5-11-4-7(15)9(16)13-8-6(2-10)3-12-14-8/h3-5H,1H3,(H2,12,13,14,16)
InChIKeyQMMRFYCKJRBZKT-UHFFFAOYSA-N
XLogP0.27
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea
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CID 78913823
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
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4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 78913819
N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide
CID 78913763
N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
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N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79504220
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide
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N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide (CID 103510956) is N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide?
The InChIKey is QMMRFYCKJRBZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-15-5-11-4-7(15)9(16)13-8-6(2-10)3-12-14-8/h3-5H,1H3,(H2,12,13,14,16).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide has a molecular weight of 216.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103510956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).