1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C20H19F3N6O — CID 66738737

IUPAC1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)18-16(13-29(27-18)15-4-2-1-3-5-15)19(30)26-14-6-7-17(25-12-14)28-10-8-24-9-11-28/h1-7,12-13,24H,8-11H2,(H,26,30)
InChIKeyZQTYDWZAIYTZAT-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.95
Rot. Bonds4

About 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 66738737) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID66738737
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)18-16(13-29(27-18)15-4-2-1-3-5-15)19(30)26-14-6-7-17(25-12-14)28-10-8-24-9-11-28/h1-7,12-13,24H,8-11H2,(H,26,30)
InChIKeyZQTYDWZAIYTZAT-UHFFFAOYSA-N
XLogP2.95
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44462758
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CID 118308154
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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Dipyridodiazepinone deriv. 53
CID 463573
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6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
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6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid [5-(azetidine-1-carbonyl)-1-methyl-1H-pyrazol-4-yl]-amide
CID 58548168
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548332
N-[(1S,2S)-2-Methyl-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-2-(2H-1,2,3-triazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 66738737) is 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(N2CCNCC2)nc1)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZQTYDWZAIYTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)18-16(13-29(27-18)15-4-2-1-3-5-15)19(30)26-14-6-7-17(25-12-14)28-10-8-24-9-11-28/h1-7,12-13,24H,8-11H2,(H,26,30).
What are the key properties of 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(6-piperazin-1-yl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 66738737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).