N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide

C23H22Cl2N4O3 — CID 66862608

IUPACN-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1c(C(=O)NC2CCN(C(C)=O)C2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2N4O3/c1-14(30)28-12-11-17(13-28)26-23(31)20-22(32-2)21(15-7-9-16(24)10-8-15)29(27-20)19-6-4-3-5-18(19)25/h3-10,17H,11-13H2,1-2H3,(H,26,31)
InChIKeyAPHKKWRCRVGKEN-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.21
Rot. Bonds5

About N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide

N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 66862608) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID66862608
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1c(C(=O)NC2CCN(C(C)=O)C2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2N4O3/c1-14(30)28-12-11-17(13-28)26-23(31)20-22(32-2)21(15-7-9-16(24)10-8-15)29(27-20)19-6-4-3-5-18(19)25/h3-10,17H,11-13H2,1-2H3,(H,26,31)
InChIKeyAPHKKWRCRVGKEN-UHFFFAOYSA-N
XLogP4.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(thian-4-yl)pyrazole-3-carboxamide
CID 66862919
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide
CID 16717851
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide
CID 131863756
N-[(3R)-1-acetylpiperidin-3-yl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 57341511
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
CID 66863225
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-[2-(ethylcarbamoylamino)ethoxy]-N-pyrrolidin-1-ylpyrazole-3-carboxamide
CID 66863165
(3R)-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 57341513
(3R)-N-tert-butyl-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidine-1-carboxamide
CID 57341680
1-(2-chlorophenyl)-4-methoxy-N-(1-sulfinyl-1,4-thiazinan-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66863480
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-4-yl]carbamic acid
CID 71116095
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide (CID 66862608) is N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide is COc1c(C(=O)NC2CCN(C(C)=O)C2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is APHKKWRCRVGKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c1-14(30)28-12-11-17(13-28)26-23(31)20-22(32-2)21(15-7-9-16(24)10-8-15)29(27-20)19-6-4-3-5-18(19)25/h3-10,17H,11-13H2,1-2H3,(H,26,31).
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide?
N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 473.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 66862608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).