[2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C17H18F3N3O — CID 50747426

IUPAC[2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C17H18F3N3O/c1-11-5-7-12(8-6-11)14-4-3-9-23(14)16(24)13-10-15(17(18,19)20)22(2)21-13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyHRWLUDDWGHJHDM-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.72
Rot. Bonds2

About [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 50747426) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID50747426
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name[2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C17H18F3N3O/c1-11-5-7-12(8-6-11)14-4-3-9-23(14)16(24)13-10-15(17(18,19)20)22(2)21-13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyHRWLUDDWGHJHDM-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135319024
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CID 129226884
1-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]indoline
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Ab-chfupyca
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1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
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CID 2738508
CP-220629
CID 9949129
6-Benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10496166
1-Cyclopentyl-3-ethyl-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
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2-[4-(1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24810973
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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 50747426) is [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is HRWLUDDWGHJHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-11-5-7-12(8-6-11)14-4-3-9-23(14)16(24)13-10-15(17(18,19)20)22(2)21-13/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 337.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 50747426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).