(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

C12H16F3N3O — CID 126798384

IUPAC(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C(=O)N1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-8-7-16-17-10(8)11(19)18-4-2-9(3-5-18)6-12(13,14)15/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyFHVROPVROXZFBM-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.52
Rot. Bonds2

About (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (PubChem CID 126798384) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
PubChem CID126798384
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C(=O)N1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-8-7-16-17-10(8)11(19)18-4-2-9(3-5-18)6-12(13,14)15/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyFHVROPVROXZFBM-UHFFFAOYSA-N
XLogP2.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 166254894
2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 166384232
(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone
CID 130660375
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
CID 61421520
(4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 166341739
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124606178
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610353
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119376801
5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide
CID 154855545

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (CID 126798384) is (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is Cc1cn[nH]c1C(=O)N1CCC(CC(F)(F)F)CC1.
What is the InChIKey of (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The InChIKey is FHVROPVROXZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8-7-16-17-10(8)11(19)18-4-2-9(3-5-18)6-12(13,14)15/h7,9H,2-6H2,1H3,(H,16,17).
What are the key properties of (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone has a molecular weight of 275.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126798384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).