4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide

C11H8ClF3N4O — CID 97433684

IUPAC4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](c1cccnc1)C(F)(F)F)c1[nH]ncc1Cl
InChIInChI=1S/C11H8ClF3N4O/c12-7-5-17-19-8(7)10(20)18-9(11(13,14)15)6-2-1-3-16-4-6/h1-5,9H,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyFBBDRMOTMYRIQF-SECBINFHSA-N
MW304.66 g/mol
LogP2.49
Rot. Bonds3

About 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide

4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide (PubChem CID 97433684) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
PubChem CID97433684
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](c1cccnc1)C(F)(F)F)c1[nH]ncc1Cl
InChIInChI=1S/C11H8ClF3N4O/c12-7-5-17-19-8(7)10(20)18-9(11(13,14)15)6-2-1-3-16-4-6/h1-5,9H,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyFBBDRMOTMYRIQF-SECBINFHSA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 74231438
4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 17026858
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
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797
2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 99934472
3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 29105538
3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 42515942
3-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
CID 91352129

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide (CID 97433684) is 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide is O=C(N[C@H](c1cccnc1)C(F)(F)F)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FBBDRMOTMYRIQF-SECBINFHSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-7-5-17-19-8(7)10(20)18-9(11(13,14)15)6-2-1-3-16-4-6/h1-5,9H,(H,17,19)(H,18,20)/t9-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 304.66 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97433684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).