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

C14H15ClF3N5O — CID 50969549

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C14H15ClF3N5O/c1-21-11(10(15)12(20-21)14(16,17)18)13(24)23-7-2-4-9(23)8-22-6-3-5-19-22/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyRUJABUJNYJFMNY-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.59
Rot. Bonds3

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

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 50969549) has the molecular formula C14H15ClF3N5O and a molecular weight of 361.76 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID50969549
Molecular FormulaC14H15ClF3N5O
Molecular Weight361.76 g/mol
Exact Mass361.09
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C14H15ClF3N5O/c1-21-11(10(15)12(20-21)14(16,17)18)13(24)23-7-2-4-9(23)8-22-6-3-5-19-22/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyRUJABUJNYJFMNY-UHFFFAOYSA-N
XLogP2.59
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 50969549) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC1Cn1cccn1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RUJABUJNYJFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N5O/c1-21-11(10(15)12(20-21)14(16,17)18)13(24)23-7-2-4-9(23)8-22-6-3-5-19-22/h3,5-6,9H,2,4,7-8H2,1H3.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 361.76 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50969549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).