5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide

C22H30Cl2N4O2 — CID 46540829

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C22H30Cl2N4O2/c1-15(2)12-18(27-8-10-30-11-9-27)13-25-22(29)20-16(3)26-28(21(20)24)14-17-6-4-5-7-19(17)23/h4-7,15,18H,8-14H2,1-3H3,(H,25,29)
InChIKeyGGSFDWZGRCTQAN-UHFFFAOYSA-N
MW453.41 g/mol
LogP4.02
Rot. Bonds8

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide (PubChem CID 46540829) has the molecular formula C22H30Cl2N4O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
PubChem CID46540829
Molecular FormulaC22H30Cl2N4O2
Molecular Weight453.41 g/mol
Exact Mass452.17
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C22H30Cl2N4O2/c1-15(2)12-18(27-8-10-30-11-9-27)13-25-22(29)20-16(3)26-28(21(20)24)14-17-6-4-5-7-19(17)23/h4-7,15,18H,8-14H2,1-3H3,(H,25,29)
InChIKeyGGSFDWZGRCTQAN-UHFFFAOYSA-N
XLogP4.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 55332973
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2-oxazole-4-carboxamide
CID 42940218
5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide
CID 78815926
2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 46540918
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
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1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55330164
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
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-methylcyclohexyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide (CID 46540829) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide?
The InChIKey is GGSFDWZGRCTQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N4O2/c1-15(2)12-18(27-8-10-30-11-9-27)13-25-22(29)20-16(3)26-28(21(20)24)14-17-6-4-5-7-19(17)23/h4-7,15,18H,8-14H2,1-3H3,(H,25,29).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide has a molecular weight of 453.41 g/mol, XLogP of 4.02, 8 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]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46540829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).