5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide

C19H22Cl2N4O3 — CID 78815926

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C19H22Cl2N4O3/c1-13-17(18(21)25(22-13)11-14-5-3-4-6-15(14)20)19(27)23(2)12-16(26)24-7-9-28-10-8-24/h3-6H,7-12H2,1-2H3
InChIKeyHFRIOPKUEBAEHJ-UHFFFAOYSA-N
MW425.32 g/mol
LogP2.48
Rot. Bonds5

About 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide (PubChem CID 78815926) has the molecular formula C19H22Cl2N4O3 and a molecular weight of 425.32 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide
PubChem CID78815926
Molecular FormulaC19H22Cl2N4O3
Molecular Weight425.32 g/mol
Exact Mass424.11
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C19H22Cl2N4O3/c1-13-17(18(21)25(22-13)11-14-5-3-4-6-15(14)20)19(27)23(2)12-16(26)24-7-9-28-10-8-24/h3-6H,7-12H2,1-2H3
InChIKeyHFRIOPKUEBAEHJ-UHFFFAOYSA-N
XLogP2.48
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31929455
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 46540829
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 55898744
(2-morpholin-4-yl-2-oxoethyl) 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7557432
5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 31645229
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-N,3,5-trimethylpyrazole-4-carboxamide
CID 35591804
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344
2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447163
1-benzyl-N-[2-(benzylamino)-2-oxoethyl]-5-chloro-N,3-dimethylpyrazole-4-carboxamide
CID 154861363
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
[2-(azepan-1-yl)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide (CID 78815926) is 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)CC(=O)N1CCOCC1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide?
The InChIKey is HFRIOPKUEBAEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O3/c1-13-17(18(21)25(22-13)11-14-5-3-4-6-15(14)20)19(27)23(2)12-16(26)24-7-9-28-10-8-24/h3-6H,7-12H2,1-2H3.
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78815926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).