(1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C19H19ClF3N3O2 — CID 130355823

IUPAC(1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2[C@H](c3cc(C(F)(F)F)nn3C)[C@@H]3CC[C@H]2O3)ccc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-9-7-10(3-4-11(9)20)24-18(27)17-14-6-5-13(28-14)16(17)12-8-15(19(21,22)23)25-26(12)2/h3-4,7-8,13-14,16-17H,5-6H2,1-2H3,(H,24,27)/t13-,14+,16+,17+/m0/s1
InChIKeyRCBDGYOMXUUTPD-XOSAIJSUSA-N
MW413.83 g/mol
LogP4.30
Rot. Bonds3

About (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 130355823) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID130355823
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC Name(1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2[C@H](c3cc(C(F)(F)F)nn3C)[C@@H]3CC[C@H]2O3)ccc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-9-7-10(3-4-11(9)20)24-18(27)17-14-6-5-13(28-14)16(17)12-8-15(19(21,22)23)25-26(12)2/h3-4,7-8,13-14,16-17H,5-6H2,1-2H3,(H,24,27)/t13-,14+,16+,17+/m0/s1
InChIKeyRCBDGYOMXUUTPD-XOSAIJSUSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-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

3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3237450
(1R,2R,3S,4S)-N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510642
(1R,2R,3S,4S)-N-(3-chloro-4-phenylphenyl)-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510644
(1R,2R,3R,4S)-N-(3,4-dichlorophenyl)-3-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510646
(1R,2R,3S,4S)-N-(3,4-dichlorophenyl)-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510654
(1R,2S,3R,4S)-N-(3,4-dichlorophenyl)-3-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510695
(1R,2R,3R,4S)-N-(3-chloro-4-phenylphenyl)-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510710
(1R,2R,3R,4S)-N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510754
(1R,2R,3R,4S)-N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510757
(1R,2S,3S,4S)-N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510780
(2R,3R)-N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118518828
N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 140793429

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 130355823) is (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(NC(=O)[C@H]2[C@H](c3cc(C(F)(F)F)nn3C)[C@@H]3CC[C@H]2O3)ccc1Cl.
What is the InChIKey of (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RCBDGYOMXUUTPD-XOSAIJSUSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-9-7-10(3-4-11(9)20)24-18(27)17-14-6-5-13(28-14)16(17)12-8-15(19(21,22)23)25-26(12)2/h3-4,7-8,13-14,16-17H,5-6H2,1-2H3,(H,24,27)/t13-,14+,16+,17+/m0/s1.
What are the key properties of (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 413.83 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-N-(4-chloro-3-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 130355823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).