1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C13H8F3N7O — CID 45256979

IUPAC1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1cnn(-c2cnccn2)c1C(F)(F)F
InChIInChI=1S/C13H8F3N7O/c14-13(15,16)11-9(12(24)22-8-1-2-19-20-5-8)6-21-23(11)10-7-17-3-4-18-10/h1-7H,(H,19,22,24)
InChIKeyBFPSOQRIMZDJKJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP1.72
Rot. Bonds3

About 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 45256979) has the molecular formula C13H8F3N7O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID45256979
Molecular FormulaC13H8F3N7O
Molecular Weight335.25 g/mol
Exact Mass335.07
IUPAC Name1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1cnn(-c2cnccn2)c1C(F)(F)F
InChIInChI=1S/C13H8F3N7O/c14-13(15,16)11-9(12(24)22-8-1-2-19-20-5-8)6-21-23(11)10-7-17-3-4-18-10/h1-7H,(H,19,22,24)
InChIKeyBFPSOQRIMZDJKJ-UHFFFAOYSA-N
XLogP1.72
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{6-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}nicotinamide
CID 57518351
7-methyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137049832
7-ethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137049776
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 37684761
5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 31245059
N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 39953963
N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 59607031
1-(4-fluorophenyl)-N-(6-piperazin-1-ylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66738470
1-phenyl-N-(6-piperazin-1-ylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66738737
1-pyridin-2-yl-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 68418087
1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 71052944
5-Methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxamide
CID 86692538

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 45256979) is 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccnnc1)c1cnn(-c2cnccn2)c1C(F)(F)F.
What is the InChIKey of 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BFPSOQRIMZDJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N7O/c14-13(15,16)11-9(12(24)22-8-1-2-19-20-5-8)6-21-23(11)10-7-17-3-4-18-10/h1-7H,(H,19,22,24).
What are the key properties of 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45256979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).