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

C23H24Cl2N4O3 — CID 69111750

IUPAC(3R,4R)-2-(2,4-dichlorophenyl)-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)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H24Cl2N4O3/c1-14-21(23(31)27-28-11-3-4-17(30)13-28)26-29(20-10-7-16(24)12-19(20)25)22(14)15-5-8-18(32-2)9-6-15/h5-10,12,14,22H,3-4,11,13H2,1-2H3,(H,27,31)/t14-,22+/m0/s1
InChIKeyWBOXVPOFGSJOPP-RCDICMHDSA-N
MW475.38 g/mol
LogP4.25
Rot. Bonds5

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

(3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 69111750) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID69111750
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name(3R,4R)-2-(2,4-dichlorophenyl)-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)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H24Cl2N4O3/c1-14-21(23(31)27-28-11-3-4-17(30)13-28)26-29(20-10-7-16(24)12-19(20)25)22(14)15-5-8-18(32-2)9-6-15/h5-10,12,14,22H,3-4,11,13H2,1-2H3,(H,27,31)/t14-,22+/m0/s1
InChIKeyWBOXVPOFGSJOPP-RCDICMHDSA-N
XLogP4.25
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide (CID 69111750) is (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R,4R)-2-(2,4-dichlorophenyl)-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)=NN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is WBOXVPOFGSJOPP-RCDICMHDSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c1-14-21(23(31)27-28-11-3-4-17(30)13-28)26-29(20-10-7-16(24)12-19(20)25)22(14)15-5-8-18(32-2)9-6-15/h5-10,12,14,22H,3-4,11,13H2,1-2H3,(H,27,31)/t14-,22+/m0/s1.
What are the key properties of (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
(3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 475.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-methyl-N-(3-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 69111750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).