(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide

C23H25ClN4O3 — CID 69113143

IUPAC(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESCOc1ccc([C@H]2[C@@H](C)C(C(=O)NN3CCCC(=O)C3)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C23H25ClN4O3/c1-15-21(23(30)26-27-13-5-6-17(29)14-27)25-28(20-8-4-3-7-19(20)24)22(15)16-9-11-18(31-2)12-10-16/h3-4,7-12,15,22H,5-6,13-14H2,1-2H3,(H,26,30)/t15-,22+/m0/s1
InChIKeyOBUSZEWFBMVCDJ-OYHNWAKOSA-N
MW440.93 g/mol
LogP3.60
Rot. Bonds5

About (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide

(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 69113143) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID69113143
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESCOc1ccc([C@H]2[C@@H](C)C(C(=O)NN3CCCC(=O)C3)=NN2c2ccccc2Cl)cc1
InChIInChI=1S/C23H25ClN4O3/c1-15-21(23(30)26-27-13-5-6-17(29)14-27)25-28(20-8-4-3-7-19(20)24)22(15)16-9-11-18(31-2)12-10-16/h3-4,7-12,15,22H,5-6,13-14H2,1-2H3,(H,26,30)/t15-,22+/m0/s1
InChIKeyOBUSZEWFBMVCDJ-OYHNWAKOSA-N
XLogP3.60
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 69111750
(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-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
CID 69112352
(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112839
(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide
CID 87698983
(3R,4S)-N-(azepan-1-yl)-2-(2-chlorophenyl)-3-(4-iodophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112005
(3R,4R)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-iodophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112621
(3S,4R)-2-(2-chlorophenyl)-4-methyl-N-piperidin-1-yl-3-thiophen-2-yl-3,4-dihydropyrazole-5-carboxamide
CID 69112635
(3S,4S)-2-(2,4-dichlorophenyl)-N-(3,6-dihydro-2H-pyridin-1-yl)-3-(4-methoxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112226
(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 158469376
(3R,4S)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 69111938
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 57453050

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide (CID 69113143) is (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide is COc1ccc([C@H]2[C@@H](C)C(C(=O)NN3CCCC(=O)C3)=NN2c2ccccc2Cl)cc1.
What is the InChIKey of (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is OBUSZEWFBMVCDJ-OYHNWAKOSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-15-21(23(30)26-27-13-5-6-17(29)14-27)25-28(20-8-4-3-7-19(20)24)22(15)16-9-11-18(31-2)12-10-16/h3-4,7-12,15,22H,5-6,13-14H2,1-2H3,(H,26,30)/t15-,22+/m0/s1.
What are the key properties of (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
(3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 69113143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).