(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide

C23H24ClF3N4O2 — CID 69112352

IUPAC(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCOc1ccc([C@H]2[C@H](C(F)(F)F)C(C(=O)NN3CCCCC3)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C23H24ClF3N4O2/c1-33-16-11-9-15(10-12-16)21-19(23(25,26)27)20(22(32)29-30-13-5-2-6-14-30)28-31(21)18-8-4-3-7-17(18)24/h3-4,7-12,19,21H,2,5-6,13-14H2,1H3,(H,29,32)/t19-,21+/m1/s1
InChIKeyXZEHOHLPBMLKQY-CTNGQTDRSA-N
MW480.92 g/mol
LogP4.96
Rot. Bonds5

About (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide

(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 69112352) has the molecular formula C23H24ClF3N4O2 and a molecular weight of 480.92 g/mol. Its IUPAC name is (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID69112352
Molecular FormulaC23H24ClF3N4O2
Molecular Weight480.92 g/mol
Exact Mass480.15
IUPAC Name(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCOc1ccc([C@H]2[C@H](C(F)(F)F)C(C(=O)NN3CCCCC3)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C23H24ClF3N4O2/c1-33-16-11-9-15(10-12-16)21-19(23(25,26)27)20(22(32)29-30-13-5-2-6-14-30)28-31(21)18-8-4-3-7-17(18)24/h3-4,7-12,19,21H,2,5-6,13-14H2,1H3,(H,29,32)/t19-,21+/m1/s1
InChIKeyXZEHOHLPBMLKQY-CTNGQTDRSA-N
XLogP4.96
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 69113143
(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide
CID 87698983
(3S,4R)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 15987446
(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112839
(3R,4S)-N-(azepan-1-yl)-2-(2-chlorophenyl)-3-(4-iodophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112005
(3S,4R)-2-(2-chlorophenyl)-4-methyl-N-piperidin-1-yl-3-thiophen-2-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112635
(3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 69111750
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 57453008
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 57453050
(3R,4S)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69111938
(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 158469376
N-(azepan-1-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carbothioamide
CID 57453067

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide (CID 69112352) is (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide is COc1ccc([C@H]2[C@H](C(F)(F)F)C(C(=O)NN3CCCCC3)=NN2c2ccccc2Cl)cc1.
What is the InChIKey of (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is XZEHOHLPBMLKQY-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H24ClF3N4O2/c1-33-16-11-9-15(10-12-16)21-19(23(25,26)27)20(22(32)29-30-13-5-2-6-14-30)28-31(21)18-8-4-3-7-17(18)24/h3-4,7-12,19,21H,2,5-6,13-14H2,1H3,(H,29,32)/t19-,21+/m1/s1.
What are the key properties of (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide?
(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 480.92 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 69112352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).