N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H19F3N6O2 — CID 169262871

IUPACN-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(-c2ccc(CO)nc2)nn1C
InChIInChI=1S/C18H19F3N6O2/c1-10(23-17(29)15-7-16(18(19,20)21)25-27(15)3)14-6-13(24-26(14)2)11-4-5-12(9-28)22-8-11/h4-8,10,28H,9H2,1-3H3,(H,23,29)
InChIKeyJGSTUVNXJLLXKP-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.22
Rot. Bonds5

About N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 169262871) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID169262871
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC NameN-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(-c2ccc(CO)nc2)nn1C
InChIInChI=1S/C18H19F3N6O2/c1-10(23-17(29)15-7-16(18(19,20)21)25-27(15)3)14-6-13(24-26(14)2)11-4-5-12(9-28)22-8-11/h4-8,10,28H,9H2,1-3H3,(H,23,29)
InChIKeyJGSTUVNXJLLXKP-UHFFFAOYSA-N
XLogP2.22
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169262909
N-[1-(2-bromo-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169263010
1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 170310986
N-[(1S)-1-[3-(2-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271905
N-[(1S)-1-[3-(benzylamino)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166099640
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518
1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166760955
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477541
1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 166761039
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
N-[1-[3-(6-cyclopropylpyridazin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272292

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 169262871) is N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(-c2ccc(CO)nc2)nn1C.
What is the InChIKey of N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is JGSTUVNXJLLXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c1-10(23-17(29)15-7-16(18(19,20)21)25-27(15)3)14-6-13(24-26(14)2)11-4-5-12(9-28)22-8-11/h4-8,10,28H,9H2,1-3H3,(H,23,29).
What are the key properties of N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 169262871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).