1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol

C20H23F3N6O2 — CID 177050303

IUPAC1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1cc(-c2cc3n(n2)CCCC3)ccn1.Cn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H17N3O.C6H6F3N3O/c1-10(18)13-8-11(5-6-15-13)14-9-12-4-2-3-7-17(12)16-14;1-12-3(5(10)13)2-4(11-12)6(7,8)9/h5-6,8-10,18H,2-4,7H2,1H3;2H,1H3,(H2,10,13)
InChIKeyLGXVOHBUZJRQGL-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.87
Rot. Bonds3

About 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol

1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol (PubChem CID 177050303) has the molecular formula C20H23F3N6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol
PubChem CID177050303
Molecular FormulaC20H23F3N6O2
Molecular Weight436.44 g/mol
Exact Mass436.18
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1cc(-c2cc3n(n2)CCCC3)ccn1.Cn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H17N3O.C6H6F3N3O/c1-10(18)13-8-11(5-6-15-13)14-9-12-4-2-3-7-17(12)16-14;1-12-3(5(10)13)2-4(11-12)6(7,8)9/h5-6,8-10,18H,2-4,7H2,1H3;2H,1H3,(H2,10,13)
InChIKeyLGXVOHBUZJRQGL-UHFFFAOYSA-N
XLogP2.87
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-1-(4-fluorobenzyl)-N-(3-((S)-1-hydroxyethyl)phenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 91864709
WT IDH1 Inhibitor 2
CID 134693801
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)pyrazolo[1,5-a]pyridine-7-carboxamide
CID 46881796
(7S)-5-[4-(1-hydroxyethyl)phenyl]-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117821189
1-(3-(aminomethyl)phenyl)-N-(3-(hydroxy(pyridin-3-yl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665970
N-(5-((2R,3R)-3-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyridin-3-yl)-6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)picolinamide
CID 165129720
(R, R) or (S, S) or (S, R), or (R, S) N-(5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyridin-3-yl)-6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)picolinamide
CID 165129729
(R, R) or (S, S) or (S, R), or (R, S) 6-(1-ethyl-1H-pyrazol-4-yl)-N-(5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyridin-3-yl)picolinamide
CID 165129765
N-(5-((2R,3S)-3-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyridin-3-yl)-6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)picolinamide
CID 165129862
N-(5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)pyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)picolinamide
CID 172154470
N-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177049993

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol (CID 177050303) is 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol is CC(O)c1cc(-c2cc3n(n2)CCCC3)ccn1.Cn1nc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol?
The InChIKey is LGXVOHBUZJRQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.C6H6F3N3O/c1-10(18)13-8-11(5-6-15-13)14-9-12-4-2-3-7-17(12)16-14;1-12-3(5(10)13)2-4(11-12)6(7,8)9/h5-6,8-10,18H,2-4,7H2,1H3;2H,1H3,(H2,10,13).
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol?
1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol has a molecular weight of 436.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 177050303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).