N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C17H16F3N3O3 — CID 71807743

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)15-8-12(10-1-2-10)23(22-15)6-5-21-16(24)11-3-4-13-14(7-11)26-9-25-13/h3-4,7-8,10H,1-2,5-6,9H2,(H,21,24)
InChIKeyITGUZXIISKWAFD-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 71807743) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID71807743
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)15-8-12(10-1-2-10)23(22-15)6-5-21-16(24)11-3-4-13-14(7-11)26-9-25-13/h3-4,7-8,10H,1-2,5-6,9H2,(H,21,24)
InChIKeyITGUZXIISKWAFD-UHFFFAOYSA-N
XLogP2.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3,4,5-triethoxybenzamide
CID 121139647
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
(3R)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97417273
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
CID 71807723
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121139555
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 121139344
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]prop-2-enamide
CID 121139281
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
CID 19620718
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440221

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 71807743) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ITGUZXIISKWAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)15-8-12(10-1-2-10)23(22-15)6-5-21-16(24)11-3-4-13-14(7-11)26-9-25-13/h3-4,7-8,10H,1-2,5-6,9H2,(H,21,24).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 71807743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).