N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide

C12H10F3N5O — CID 66619844

IUPACN-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)nc2)CC(C(F)(F)F)=NN1
InChIInChI=1S/C12H10F3N5O/c1-11(4-9(19-20-11)12(13,14)15)10(21)18-8-3-2-7(5-16)17-6-8/h2-3,6,20H,4H2,1H3,(H,18,21)
InChIKeySCLSQEXKIANMHH-UHFFFAOYSA-N
MW297.24 g/mol
LogP1.56
Rot. Bonds2

About N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide

N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide (PubChem CID 66619844) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
PubChem CID66619844
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC NameN-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)nc2)CC(C(F)(F)F)=NN1
InChIInChI=1S/C12H10F3N5O/c1-11(4-9(19-20-11)12(13,14)15)10(21)18-8-3-2-7(5-16)17-6-8/h2-3,6,20H,4H2,1H3,(H,18,21)
InChIKeySCLSQEXKIANMHH-UHFFFAOYSA-N
XLogP1.56
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US11014912, Example 4
CID 141757255
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide
CID 146513812
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide
CID 146513814
N-(6-cyanopyridin-3-yl)-2,2,2-trifluoroacetamide
CID 44574289
1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridyl]cyclobutanecarboxamide
CID 121422673
N-(6-cyano-3-pyridinyl)-2-fluoroacetamide
CID 44574260
N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide
CID 44574291
3,3-difluoro-2,2-dimethyl-N-(2-methyl-3-pyridinyl)propanamide
CID 124292015
3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 126790247
(1S)-3,3-difluoro-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 164630399
N-(6-isocyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
CID 59855248
N-(6-chloropyridin-3-yl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
CID 59855292

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide (CID 66619844) is N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide is CC1(C(=O)Nc2ccc(C#N)nc2)CC(C(F)(F)F)=NN1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The InChIKey is SCLSQEXKIANMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O/c1-11(4-9(19-20-11)12(13,14)15)10(21)18-8-3-2-7(5-16)17-6-8/h2-3,6,20H,4H2,1H3,(H,18,21).
What are the key properties of N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 66619844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).