[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone

C15H21F3N4O — CID 120941367

IUPAC[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H]1C(F)(F)F)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)13-9-19-8-12(13)14(23)21-6-2-11(3-7-21)10-22-5-1-4-20-22/h1,4-5,11-13,19H,2-3,6-10H2/t12-,13-/m1/s1
InChIKeyWFWZXUZHTWUSOA-CHWSQXEVSA-N
MW330.35 g/mol
LogP1.52
Rot. Bonds3

About [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone

[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 120941367) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID120941367
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H]1C(F)(F)F)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)13-9-19-8-12(13)14(23)21-6-2-11(3-7-21)10-22-5-1-4-20-22/h1,4-5,11-13,19H,2-3,6-10H2/t12-,13-/m1/s1
InChIKeyWFWZXUZHTWUSOA-CHWSQXEVSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880920
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 120940863
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 120941367) is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C([C@@H]1CNC[C@H]1C(F)(F)F)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is WFWZXUZHTWUSOA-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21F3N4O/c16-15(17,18)13-9-19-8-12(13)14(23)21-6-2-11(3-7-21)10-22-5-1-4-20-22/h1,4-5,11-13,19H,2-3,6-10H2/t12-,13-/m1/s1.
What are the key properties of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 330.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 120941367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).