N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide

C22H26Cl2N4O — CID 14278894

IUPACN,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCN(CC)CCC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N4O/c1-3-27(4-2)14-13-17-15-28(22(29)25-20-11-9-19(24)10-12-20)26-21(17)16-5-7-18(23)8-6-16/h5-12,17H,3-4,13-15H2,1-2H3,(H,25,29)
InChIKeyHZYQMNISHOHZDO-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.59
Rot. Bonds7

About N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide

N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14278894) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID14278894
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC NameN,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCN(CC)CCC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N4O/c1-3-27(4-2)14-13-17-15-28(22(29)25-20-11-9-19(24)10-12-20)26-21(17)16-5-7-18(23)8-6-16/h5-12,17H,3-4,13-15H2,1-2H3,(H,25,29)
InChIKeyHZYQMNISHOHZDO-UHFFFAOYSA-N
XLogP5.59
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14278896
4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71458354
ethyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate
CID 19852683
5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 14278891
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
CID 139656805
4-(4-bromobutanoylamino)-5-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980990
N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 171985283
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenyl)sulfanylphenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277336
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide (CID 14278894) is N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide is CCN(CC)CCC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is HZYQMNISHOHZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O/c1-3-27(4-2)14-13-17-15-28(22(29)25-20-11-9-19(24)10-12-20)26-21(17)16-5-7-18(23)8-6-16/h5-12,17H,3-4,13-15H2,1-2H3,(H,25,29).
What are the key properties of N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide?
N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 433.38 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14278894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).