3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide

C18H18Cl3N5O — CID 19345388

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)c1Cl
InChIInChI=1S/C18H18Cl3N5O/c1-11-18(21)12(2)26(23-11)8-6-17(27)22-16-5-7-25(24-16)10-13-3-4-14(19)9-15(13)20/h3-5,7,9H,6,8,10H2,1-2H3,(H,22,24,27)
InChIKeyXRWVSUPYIWRCSM-UHFFFAOYSA-N
MW426.74 g/mol
LogP4.73
Rot. Bonds6

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19345388) has the molecular formula C18H18Cl3N5O and a molecular weight of 426.74 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID19345388
Molecular FormulaC18H18Cl3N5O
Molecular Weight426.74 g/mol
Exact Mass425.06
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)c1Cl
InChIInChI=1S/C18H18Cl3N5O/c1-11-18(21)12(2)26(23-11)8-6-17(27)22-16-5-7-25(24-16)10-13-3-4-14(19)9-15(13)20/h3-5,7,9H,6,8,10H2,1-2H3,(H,22,24,27)
InChIKeyXRWVSUPYIWRCSM-UHFFFAOYSA-N
XLogP4.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.74
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea
CID 17380831
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569956
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19543812
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19337215
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19552264
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19347058
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557862
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525282
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498642

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide (CID 19345388) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide is Cc1nn(CCC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is XRWVSUPYIWRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N5O/c1-11-18(21)12(2)26(23-11)8-6-17(27)22-16-5-7-25(24-16)10-13-3-4-14(19)9-15(13)20/h3-5,7,9H,6,8,10H2,1-2H3,(H,22,24,27).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 426.74 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19345388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).