N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide

C15H16N4O — CID 43582277

IUPACN-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H16N4O/c1-11-14(12(2)18-17-11)15(20)19(10-6-9-16)13-7-4-3-5-8-13/h3-5,7-8H,6,10H2,1-2H3,(H,17,18)
InChIKeyLVBQPYKJYNFPPF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide

N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 43582277) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID43582277
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H16N4O/c1-11-14(12(2)18-17-11)15(20)19(10-6-9-16)13-7-4-3-5-8-13/h3-5,7-8H,6,10H2,1-2H3,(H,17,18)
InChIKeyLVBQPYKJYNFPPF-UHFFFAOYSA-N
XLogP2.59
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 43582277) is N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is LVBQPYKJYNFPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-14(12(2)18-17-11)15(20)19(10-6-9-16)13-7-4-3-5-8-13/h3-5,7-8H,6,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).