N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H14N4O2 — CID 61276278

IUPACN-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C14H14N4O2/c1-9-13(10(2)18-17-9)14(19)16-11-4-3-5-12(8-11)20-7-6-15/h3-5,8H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZQNFVXAIAFMLIN-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.18
Rot. Bonds4

About N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61276278) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61276278
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C14H14N4O2/c1-9-13(10(2)18-17-9)14(19)16-11-4-3-5-12(8-11)20-7-6-15/h3-5,8H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZQNFVXAIAFMLIN-UHFFFAOYSA-N
XLogP2.18
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793420
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 62298914
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61276278) is N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZQNFVXAIAFMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-13(10(2)18-17-9)14(19)16-11-4-3-5-12(8-11)20-7-6-15/h3-5,8H,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61276278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).