3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide

C16H12F3N5O — CID 74231438

IUPAC3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)14(10-4-3-6-20-9-10)22-15(25)13-8-12(23-24-13)11-5-1-2-7-21-11/h1-9,14H,(H,22,25)(H,23,24)
InChIKeyYWISTKWCWBTUIG-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.90
Rot. Bonds4

About 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide

3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 74231438) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID74231438
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)14(10-4-3-6-20-9-10)22-15(25)13-8-12(23-24-13)11-5-1-2-7-21-11/h1-9,14H,(H,22,25)(H,23,24)
InChIKeyYWISTKWCWBTUIG-UHFFFAOYSA-N
XLogP2.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 118986188
5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 42519084
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
4-(1,2,4-triazol-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)benzamide
CID 77091530
N-(1-hydroxy-3-methylpentan-2-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821141
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
CID 99946998
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 42515942

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide (CID 74231438) is 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide is O=C(NC(c1cccnc1)C(F)(F)F)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YWISTKWCWBTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)14(10-4-3-6-20-9-10)22-15(25)13-8-12(23-24-13)11-5-1-2-7-21-11/h1-9,14H,(H,22,25)(H,23,24).
What are the key properties of 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74231438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).