[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C14H16F3N5O — CID 146103274

IUPAC[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCn1cc(C2CCCCN2C(=O)c2cc(C(F)(F)F)[nH]n2)cn1
InChIInChI=1S/C14H16F3N5O/c1-21-8-9(7-18-21)11-4-2-3-5-22(11)13(23)10-6-12(20-19-10)14(15,16)17/h6-8,11H,2-5H2,1H3,(H,19,20)
InChIKeyKMLRHSBEXAVLIZ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.53
Rot. Bonds2

About [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 146103274) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID146103274
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCn1cc(C2CCCCN2C(=O)c2cc(C(F)(F)F)[nH]n2)cn1
InChIInChI=1S/C14H16F3N5O/c1-21-8-9(7-18-21)11-4-2-3-5-22(11)13(23)10-6-12(20-19-10)14(15,16)17/h6-8,11H,2-5H2,1H3,(H,19,20)
InChIKeyKMLRHSBEXAVLIZ-UHFFFAOYSA-N
XLogP2.53
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124751149
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95752168
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 110223040
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 154807208
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652614
1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70758694

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 146103274) is [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is Cn1cc(C2CCCCN2C(=O)c2cc(C(F)(F)F)[nH]n2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is KMLRHSBEXAVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-21-8-9(7-18-21)11-4-2-3-5-22(11)13(23)10-6-12(20-19-10)14(15,16)17/h6-8,11H,2-5H2,1H3,(H,19,20).
What are the key properties of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 327.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 146103274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).