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

C16H15ClF3N3O — CID 50747044

IUPAC[2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCCC2c2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N3O/c1-22-14(16(18,19)20)9-12(21-22)15(24)23-8-4-7-13(23)10-5-2-3-6-11(10)17/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyFWEPWVYUGJTIHV-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.07
Rot. Bonds2

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

[2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 50747044) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID50747044
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCCC2c2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N3O/c1-22-14(16(18,19)20)9-12(21-22)15(24)23-8-4-7-13(23)10-5-2-3-6-11(10)17/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyFWEPWVYUGJTIHV-UHFFFAOYSA-N
XLogP4.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 50747044) is [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cn1nc(C(=O)N2CCCC2c2ccccc2Cl)cc1C(F)(F)F.
What is the InChIKey of [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is FWEPWVYUGJTIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-22-14(16(18,19)20)9-12(21-22)15(24)23-8-4-7-13(23)10-5-2-3-6-11(10)17/h2-3,5-6,9,13H,4,7-8H2,1H3.
What are the key properties of [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 357.76 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 50747044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).