N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C15H17F2N5O2 — CID 75396653

IUPACN-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1C1CCCN1C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N5O2/c1-21-9-18-20-13(21)12-6-3-7-22(12)15(23)19-10-4-2-5-11(8-10)24-14(16)17/h2,4-5,8-9,12,14H,3,6-7H2,1H3,(H,19,23)
InChIKeyBVMQXQTWUCHUPJ-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.79
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 75396653) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID75396653
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1C1CCCN1C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N5O2/c1-21-9-18-20-13(21)12-6-3-7-22(12)15(23)19-10-4-2-5-11(8-10)24-14(16)17/h2,4-5,8-9,12,14H,3,6-7H2,1H3,(H,19,23)
InChIKeyBVMQXQTWUCHUPJ-UHFFFAOYSA-N
XLogP2.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide 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 N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 75396653) is N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is Cn1cnnc1C1CCCN1C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is BVMQXQTWUCHUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-21-9-18-20-13(21)12-6-3-7-22(12)15(23)19-10-4-2-5-11(8-10)24-14(16)17/h2,4-5,8-9,12,14H,3,6-7H2,1H3,(H,19,23).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75396653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).