[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone

C16H22ClF3N4O2 — CID 95711545

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C16H22ClF3N4O2/c1-22-13(12(17)14(21-22)16(18,19)20)15(26)23-7-4-10(5-8-23)24-6-2-3-11(25)9-24/h10-11,25H,2-9H2,1H3/t11-/m0/s1
InChIKeyGYKLUPZPHACLRS-NSHDSACASA-N
MW394.83 g/mol
LogP2.15
Rot. Bonds2

About [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 95711545) has the molecular formula C16H22ClF3N4O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
PubChem CID95711545
Molecular FormulaC16H22ClF3N4O2
Molecular Weight394.83 g/mol
Exact Mass394.14
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C16H22ClF3N4O2/c1-22-13(12(17)14(21-22)16(18,19)20)15(26)23-7-4-10(5-8-23)24-6-2-3-11(25)9-24/h10-11,25H,2-9H2,1H3/t11-/m0/s1
InChIKeyGYKLUPZPHACLRS-NSHDSACASA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
(3S)-4-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3-ethylmorpholine
CID 70772303
(1R*,3S*)-7-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70773668
(4-Chloro-1,3-dimethylpyrazol-5-yl)-(3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 171359420
[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl](morpholin-4-yl)methanone
CID 4767754
4-chloro-N,N-dicyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768045
[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl](2,6-dimethylpiperidin-1-yl)methanone
CID 4770081
[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl](morpholin-4-yl)methanone
CID 4767731
[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 4767819
[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl](2,6-dimethylmorpholin-4-yl)methanone
CID 4768747
4-chloro-1-methyl-N-[3-(morpholin-4-yl)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769810
4-chloro-1-methyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268092

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone (CID 95711545) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC(N2CCC[C@H](O)C2)CC1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is GYKLUPZPHACLRS-NSHDSACASA-N. The full InChI is InChI=1S/C16H22ClF3N4O2/c1-22-13(12(17)14(21-22)16(18,19)20)15(26)23-7-4-10(5-8-23)24-6-2-3-11(25)9-24/h10-11,25H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 394.83 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95711545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).