5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide

C23H26Cl2N4O2 — CID 55859126

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C23H26Cl2N4O2/c1-16-21(22(25)29(27-16)15-18-6-4-5-7-20(18)24)23(30)26-14-17-8-10-19(11-9-17)31-13-12-28(2)3/h4-11H,12-15H2,1-3H3,(H,26,30)
InChIKeyNTULTQXOVKMGGF-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.42
Rot. Bonds9

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 55859126) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
PubChem CID55859126
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C23H26Cl2N4O2/c1-16-21(22(25)29(27-16)15-18-6-4-5-7-20(18)24)23(30)26-14-17-8-10-19(11-9-17)31-13-12-28(2)3/h4-11H,12-15H2,1-3H3,(H,26,30)
InChIKeyNTULTQXOVKMGGF-UHFFFAOYSA-N
XLogP4.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34558813
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
CID 35768956
1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 49488914
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 55898744
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 46400897
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide (CID 55859126) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is NTULTQXOVKMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c1-16-21(22(25)29(27-16)15-18-6-4-5-7-20(18)24)23(30)26-14-17-8-10-19(11-9-17)31-13-12-28(2)3/h4-11H,12-15H2,1-3H3,(H,26,30).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 461.39 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55859126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).