N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide

C24H23Cl3N4O2 — CID 57343392

IUPACN-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C24H23Cl3N4O2/c1-14-22(24(33)28-19-9-11-30(12-10-19)15(2)32)29-31(21-8-7-18(26)13-20(21)27)23(14)16-3-5-17(25)6-4-16/h3-8,13,19H,9-12H2,1-2H3,(H,28,33)
InChIKeyGDQHBBSZCMGKIX-UHFFFAOYSA-N
MW505.83 g/mol
LogP5.55
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide

N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 57343392) has the molecular formula C24H23Cl3N4O2 and a molecular weight of 505.83 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
PubChem CID57343392
Molecular FormulaC24H23Cl3N4O2
Molecular Weight505.83 g/mol
Exact Mass504.09
IUPAC NameN-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C24H23Cl3N4O2/c1-14-22(24(33)28-19-9-11-30(12-10-19)15(2)32)29-31(21-8-7-18(26)13-20(21)27)23(14)16-3-5-17(25)6-4-16/h3-8,13,19H,9-12H2,1-2H3,(H,28,33)
InChIKeyGDQHBBSZCMGKIX-UHFFFAOYSA-N
XLogP5.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.83
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide (CID 57343392) is N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is CC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is GDQHBBSZCMGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4O2/c1-14-22(24(33)28-19-9-11-30(12-10-19)15(2)32)29-31(21-8-7-18(26)13-20(21)27)23(14)16-3-5-17(25)6-4-16/h3-8,13,19H,9-12H2,1-2H3,(H,28,33).
What are the key properties of N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 505.83 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 57343392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).