N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H15F3N4O2 — CID 154806675

IUPACN-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F
InChIInChI=1S/C20H15F3N4O2/c1-12-5-3-4-6-16(12)27-18(20(21,22)23)14(11-25-27)19(28)26-15-9-13(10-24)7-8-17(15)29-2/h3-9,11H,1-2H3,(H,26,28)
InChIKeyKHBKSEMXHBRHQW-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.33
Rot. Bonds4

About N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 154806675) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID154806675
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F
InChIInChI=1S/C20H15F3N4O2/c1-12-5-3-4-6-16(12)27-18(20(21,22)23)14(11-25-27)19(28)26-15-9-13(10-24)7-8-17(15)29-2/h3-9,11H,1-2H3,(H,26,28)
InChIKeyKHBKSEMXHBRHQW-UHFFFAOYSA-N
XLogP4.33
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 60562342
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55608969
N-[3-(difluoromethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55778864
N-[2-(2-cyano-3-fluoroanilino)ethyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55844623
[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbamic acid
CID 170168452
1-(2-methylphenyl)-N-(4-propylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112819239
N-(2-amino-2-methylpropyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119630562
N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 49182482
1-(2-methylphenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56555874
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 154780004
1-(2-methylphenyl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119390307

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 154806675) is N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F.
What is the InChIKey of N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KHBKSEMXHBRHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-5-3-4-6-16(12)27-18(20(21,22)23)14(11-25-27)19(28)26-15-9-13(10-24)7-8-17(15)29-2/h3-9,11H,1-2H3,(H,26,28).
What are the key properties of N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154806675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).