N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide

C13H13Cl2N3O — CID 35591649

IUPACN-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H13Cl2N3O/c1-18-8-9(7-16-18)2-5-13(19)17-12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5H2,1H3,(H,17,19)
InChIKeyXVQOBYLEVUNHFR-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.30
Rot. Bonds4

About N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide

N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 35591649) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID35591649
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H13Cl2N3O/c1-18-8-9(7-16-18)2-5-13(19)17-12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5H2,1H3,(H,17,19)
InChIKeyXVQOBYLEVUNHFR-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55870787
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55873986
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131913073
2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 87026477
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024241
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 35591649) is N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is XVQOBYLEVUNHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-18-8-9(7-16-18)2-5-13(19)17-12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5H2,1H3,(H,17,19).
What are the key properties of N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 298.17 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35591649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).