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

C19H17Cl2N3O — CID 1124684

IUPACN-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c1-13-18(19(21)24(22-13)17-6-4-3-5-7-17)12-23(14(2)25)16-10-8-15(20)9-11-16/h3-11H,12H2,1-2H3
InChIKeyHSBSMEQUGJFTGZ-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.04
Rot. Bonds4

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

N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide (PubChem CID 1124684) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
PubChem CID1124684
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC NameN-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c1-13-18(19(21)24(22-13)17-6-4-3-5-7-17)12-23(14(2)25)16-10-8-15(20)9-11-16/h3-11H,12H2,1-2H3
InChIKeyHSBSMEQUGJFTGZ-UHFFFAOYSA-N
XLogP5.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea
CID 162617787
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 110909353
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(hydroxymethyl)benzoate
CID 46607202
[2-(4-chlorophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576220
4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 18192071
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9194179
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 7334401
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole
CID 78881099
3-(4-chlorophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 101421740

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide (CID 1124684) is N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide is CC(=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)acetamide?
The InChIKey is HSBSMEQUGJFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-13-18(19(21)24(22-13)17-6-4-3-5-7-17)12-23(14(2)25)16-10-8-15(20)9-11-16/h3-11H,12H2,1-2H3.
What are the key properties of N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide?
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide has a molecular weight of 374.27 g/mol, XLogP of 5.04, 4 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)acetamide is sourced from PubChem (CID 1124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).