2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one

C14H19ClF3N3O — CID 4769088

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)N1CCCCC1C
InChIInChI=1S/C14H19ClF3N3O/c1-8-6-4-5-7-20(8)13(22)10(3)21-9(2)11(15)12(19-21)14(16,17)18/h8,10H,4-7H2,1-3H3
InChIKeyZJVPRRMUTIXMAZ-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.83
Rot. Bonds2

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 4769088) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID4769088
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)N1CCCCC1C
InChIInChI=1S/C14H19ClF3N3O/c1-8-6-4-5-7-20(8)13(22)10(3)21-9(2)11(15)12(19-21)14(16,17)18/h8,10H,4-7H2,1-3H3
InChIKeyZJVPRRMUTIXMAZ-UHFFFAOYSA-N
XLogP3.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 4768154
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 91956630
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
CID 19531891
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957548
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 19532076
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide
CID 110280816
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769596
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
ethyl (2R)-2-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanylpropanoate
CID 19531877
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 879108

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one (CID 4769088) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)N1CCCCC1C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ZJVPRRMUTIXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-8-6-4-5-7-20(8)13(22)10(3)21-9(2)11(15)12(19-21)14(16,17)18/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 337.77 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 4769088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).