[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone

C20H20F3N5O — CID 86905763

IUPAC[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
SMILESCc1cnn(C2CCCN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)c1
InChIInChI=1S/C20H20F3N5O/c1-14-11-24-28(12-14)17-3-2-9-26(13-17)19(29)15-4-6-16(7-5-15)27-10-8-18(25-27)20(21,22)23/h4-8,10-12,17H,2-3,9,13H2,1H3
InChIKeyQDBOFPCVDBPQGL-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.87
Rot. Bonds3

About [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone

[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone (PubChem CID 86905763) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Name[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
PubChem CID86905763
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
SMILESCc1cnn(C2CCCN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)c1
InChIInChI=1S/C20H20F3N5O/c1-14-11-24-28(12-14)17-3-2-9-26(13-17)19(29)15-4-6-16(7-5-15)27-10-8-18(25-27)20(21,22)23/h4-8,10-12,17H,2-3,9,13H2,1H3
InChIKeyQDBOFPCVDBPQGL-UHFFFAOYSA-N
XLogP3.87
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606757
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 146088301
tert-butyl N-[1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]pyrrolidin-3-yl]carbamate
CID 86896807
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
The IUPAC name of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone (CID 86905763) is [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone.
What is the SMILES notation for [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
The canonical SMILES for [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone is Cc1cnn(C2CCCN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)c1.
What is the InChIKey of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
The InChIKey is QDBOFPCVDBPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-14-11-24-28(12-14)17-3-2-9-26(13-17)19(29)15-4-6-16(7-5-15)27-10-8-18(25-27)20(21,22)23/h4-8,10-12,17H,2-3,9,13H2,1H3.
What are the key properties of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone?
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone has a molecular weight of 403.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone is sourced from PubChem (CID 86905763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).