2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone

C15H20F2N4O — CID 156610733

IUPAC2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CC(F)(F)CC1c1nncn1CC1CC1
InChIInChI=1S/C15H20F2N4O/c16-15(17)6-12(21(8-15)13(22)5-10-1-2-10)14-19-18-9-20(14)7-11-3-4-11/h9-12H,1-8H2
InChIKeyVMWWPWGHQCGIHR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.40
Rot. Bonds5

About 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone

2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone (PubChem CID 156610733) has the molecular formula C15H20F2N4O and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone
PubChem CID156610733
Molecular FormulaC15H20F2N4O
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CC(F)(F)CC1c1nncn1CC1CC1
InChIInChI=1S/C15H20F2N4O/c16-15(17)6-12(21(8-15)13(22)5-10-1-2-10)14-19-18-9-20(14)7-11-3-4-11/h9-12H,1-8H2
InChIKeyVMWWPWGHQCGIHR-UHFFFAOYSA-N
XLogP2.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone 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 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone (CID 156610733) is 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone is O=C(CC1CC1)N1CC(F)(F)CC1c1nncn1CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone?
The InChIKey is VMWWPWGHQCGIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O/c16-15(17)6-12(21(8-15)13(22)5-10-1-2-10)14-19-18-9-20(14)7-11-3-4-11/h9-12H,1-8H2.
What are the key properties of 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone?
2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone has a molecular weight of 310.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl]ethanone is sourced from PubChem (CID 156610733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).