N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H14N4O2 — CID 107468982

IUPACN-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H14N4O2/c1-8-12(9(2)18-17-8)14(19)16-13-10(7-15)5-4-6-11(13)20-3/h4-6H,1-3H3,(H,16,19)(H,17,18)
InChIKeyQBOQQMQSBZAWBZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.16
Rot. Bonds3

About N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 107468982) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID107468982
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H14N4O2/c1-8-12(9(2)18-17-8)14(19)16-13-10(7-15)5-4-6-11(13)20-3/h4-6H,1-3H3,(H,16,19)(H,17,18)
InChIKeyQBOQQMQSBZAWBZ-UHFFFAOYSA-N
XLogP2.16
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 107468982) is N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is COc1cccc(C#N)c1NC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is QBOQQMQSBZAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-12(9(2)18-17-8)14(19)16-13-10(7-15)5-4-6-11(13)20-3/h4-6H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107468982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).