(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H13F3N6O — CID 95752917

IUPAC(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cc(-c2ccncc2)[nH]n1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H13F3N6O/c1-9(24-7-4-12(23-24)15(16,17)18)14(25)20-13-8-11(21-22-13)10-2-5-19-6-3-10/h2-9H,1H3,(H2,20,21,22,25)/t9-/m1/s1
InChIKeyBRDRDXTZFKSGIV-SECBINFHSA-N
MW350.30 g/mol
LogP2.89
Rot. Bonds4

About (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 95752917) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID95752917
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cc(-c2ccncc2)[nH]n1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H13F3N6O/c1-9(24-7-4-12(23-24)15(16,17)18)14(25)20-13-8-11(21-22-13)10-2-5-19-6-3-10/h2-9H,1H3,(H2,20,21,22,25)/t9-/m1/s1
InChIKeyBRDRDXTZFKSGIV-SECBINFHSA-N
XLogP2.89
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35327611
N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136557445
tert-butyl N-[(2S)-1-oxo-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate
CID 95309662
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358524
N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136556916
2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 110281072
N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 154784899
N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155961991
1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752902
methyl 1,3-dimethyl-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 95752917) is (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is C[C@H](C(=O)Nc1cc(-c2ccncc2)[nH]n1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is BRDRDXTZFKSGIV-SECBINFHSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-9(24-7-4-12(23-24)15(16,17)18)14(25)20-13-8-11(21-22-13)10-2-5-19-6-3-10/h2-9H,1H3,(H2,20,21,22,25)/t9-/m1/s1.
What are the key properties of (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 350.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 95752917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).