5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C20H18F3N3O — CID 135355506

IUPAC5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1cc(-c2cnn(CC3CC3)c2)c(-c2ccc(C(F)(F)F)cc2)cc1=O
InChIInChI=1S/C20H18F3N3O/c1-25-12-18(15-9-24-26(11-15)10-13-2-3-13)17(8-19(25)27)14-4-6-16(7-5-14)20(21,22)23/h4-9,11-13H,2-3,10H2,1H3
InChIKeyMZBQIGDZDHYXSP-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.34
Rot. Bonds4

About 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 135355506) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID135355506
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1cc(-c2cnn(CC3CC3)c2)c(-c2ccc(C(F)(F)F)cc2)cc1=O
InChIInChI=1S/C20H18F3N3O/c1-25-12-18(15-9-24-26(11-15)10-13-2-3-13)17(8-19(25)27)14-4-6-16(7-5-14)20(21,22)23/h4-9,11-13H,2-3,10H2,1H3
InChIKeyMZBQIGDZDHYXSP-UHFFFAOYSA-N
XLogP4.34
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
4-(4-Methylphenyl)-6-oxo-2-(trifluoromethyl)-2-[1-(5,5,5-trifluoropentyl)pyrazol-4-yl]-1,3-dihydropyridine-5-carbonitrile
CID 122362842
US10617680, Example 160
CID 135355041
US10617680, Example 190
CID 135355186
US10617680, Example 149
CID 135355382
US10617680, Example 11
CID 140929063
{1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}[4-(trifluoromethyl)phenyl]methanone
CID 16190563
3-[2-(4-fluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 56865788
2-(4-(4-fluorophenyl)-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 71801677
4-(4-Methylphenyl)-6-oxo-2-(1-pentylpyrazol-4-yl)-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362845
US10617680, Example 35
CID 135355182

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 135355506) is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is Cn1cc(-c2cnn(CC3CC3)c2)c(-c2ccc(C(F)(F)F)cc2)cc1=O.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is MZBQIGDZDHYXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-25-12-18(15-9-24-26(11-15)10-13-2-3-13)17(8-19(25)27)14-4-6-16(7-5-14)20(21,22)23/h4-9,11-13H,2-3,10H2,1H3.
What are the key properties of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 373.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 135355506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).