[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone

C10H11ClF3N3O — CID 4767682

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC1
InChIInChI=1S/C10H11ClF3N3O/c1-16-7(9(18)17-4-2-3-5-17)6(11)8(15-16)10(12,13)14/h2-5H2,1H3
InChIKeyFWHSJMJRVGCEQL-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.33
Rot. Bonds1

About [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4767682) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.66 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID4767682
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.66 g/mol
Exact Mass281.05
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC1
InChIInChI=1S/C10H11ClF3N3O/c1-16-7(9(18)17-4-2-3-5-17)6(11)8(15-16)10(12,13)14/h2-5H2,1H3
InChIKeyFWHSJMJRVGCEQL-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone (CID 4767682) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FWHSJMJRVGCEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-16-7(9(18)17-4-2-3-5-17)6(11)8(15-16)10(12,13)14/h2-5H2,1H3.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 281.66 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4767682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).