N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide

C20H19Cl2N3O — CID 1124685

IUPACN-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide
SMILESCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O/c1-3-19(26)24(16-11-9-15(21)10-12-16)13-18-14(2)23-25(20(18)22)17-7-5-4-6-8-17/h4-12H,3,13H2,1-2H3
InChIKeyKCOOOJNGBNIEGW-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.43
Rot. Bonds5

About N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide

N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide (PubChem CID 1124685) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide
PubChem CID1124685
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC NameN-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide
SMILESCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O/c1-3-19(26)24(16-11-9-15(21)10-12-16)13-18-14(2)23-25(20(18)22)17-7-5-4-6-8-17/h4-12H,3,13H2,1-2H3
InChIKeyKCOOOJNGBNIEGW-UHFFFAOYSA-N
XLogP5.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide?
The IUPAC name of N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide (CID 1124685) is N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide is CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide?
The InChIKey is KCOOOJNGBNIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-3-19(26)24(16-11-9-15(21)10-12-16)13-18-14(2)23-25(20(18)22)17-7-5-4-6-8-17/h4-12H,3,13H2,1-2H3.
What are the key properties of N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide?
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide has a molecular weight of 388.30 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 1124685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).