3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide

C19H20F5N3O — CID 177339296

IUPAC3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide
SMILESCC(C)(F)CC(=O)Nc1nn2c(c1-c1ccc(F)cc1)CC(C(F)(F)F)CC2
InChIInChI=1S/C19H20F5N3O/c1-18(2,21)10-15(28)25-17-16(11-3-5-13(20)6-4-11)14-9-12(19(22,23)24)7-8-27(14)26-17/h3-6,12H,7-10H2,1-2H3,(H,25,26,28)
InChIKeyWEMIXNXGHBCCNA-UHFFFAOYSA-N
MW401.38 g/mol
LogP4.89
Rot. Bonds4

About 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide

3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide (PubChem CID 177339296) has the molecular formula C19H20F5N3O and a molecular weight of 401.38 g/mol. Its IUPAC name is 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide
PubChem CID177339296
Molecular FormulaC19H20F5N3O
Molecular Weight401.38 g/mol
Exact Mass401.15
IUPAC Name3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide
SMILESCC(C)(F)CC(=O)Nc1nn2c(c1-c1ccc(F)cc1)CC(C(F)(F)F)CC2
InChIInChI=1S/C19H20F5N3O/c1-18(2,21)10-15(28)25-17-16(11-3-5-13(20)6-4-11)14-9-12(19(22,23)24)7-8-27(14)26-17/h3-6,12H,7-10H2,1-2H3,(H,25,26,28)
InChIKeyWEMIXNXGHBCCNA-UHFFFAOYSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide?
The IUPAC name of 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide (CID 177339296) is 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide.
What is the SMILES notation for 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide?
The canonical SMILES for 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide is CC(C)(F)CC(=O)Nc1nn2c(c1-c1ccc(F)cc1)CC(C(F)(F)F)CC2.
What is the InChIKey of 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide?
The InChIKey is WEMIXNXGHBCCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N3O/c1-18(2,21)10-15(28)25-17-16(11-3-5-13(20)6-4-11)14-9-12(19(22,23)24)7-8-27(14)26-17/h3-6,12H,7-10H2,1-2H3,(H,25,26,28).
What are the key properties of 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide?
3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide has a molecular weight of 401.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 177339296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).