[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone

C14H16F3N5O — CID 154764395

IUPAC[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1CC(F)(F)F)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)9-22-12(2-6-19-22)13(23)21-7-3-10(4-8-21)11-1-5-18-20-11/h1-2,5-6,10H,3-4,7-9H2,(H,18,20)
InChIKeyMAOACYMFRCWGHB-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.19
Rot. Bonds3

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

[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone (PubChem CID 154764395) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone
PubChem CID154764395
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1CC(F)(F)F)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)9-22-12(2-6-19-22)13(23)21-7-3-10(4-8-21)11-1-5-18-20-11/h1-2,5-6,10H,3-4,7-9H2,(H,18,20)
InChIKeyMAOACYMFRCWGHB-UHFFFAOYSA-N
XLogP2.19
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone with MolForge

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Related Compounds

(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 136533986
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 120940863
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118167202
[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120940862
3-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 138002521
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126788238
isoquinolin-1-yl-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124951974
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482326
methyl 2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 158658547

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone (CID 154764395) is [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone is O=C(c1ccnn1CC(F)(F)F)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone?
The InChIKey is MAOACYMFRCWGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)9-22-12(2-6-19-22)13(23)21-7-3-10(4-8-21)11-1-5-18-20-11/h1-2,5-6,10H,3-4,7-9H2,(H,18,20).
What are the key properties of [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone?
[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone has a molecular weight of 327.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 154764395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).