N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide

C16H19Cl2N3O — CID 60557715

IUPACN-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide
SMILESCCCCn1nccc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-2-3-11-21-14(9-10-19-21)20-15(22)8-7-12-5-4-6-13(17)16(12)18/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,22)
InChIKeyOUEOGPCPJNCCTH-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.56
Rot. Bonds7

About N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide

N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide (PubChem CID 60557715) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide
PubChem CID60557715
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC NameN-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide
SMILESCCCCn1nccc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-2-3-11-21-14(9-10-19-21)20-15(22)8-7-12-5-4-6-13(17)16(12)18/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,22)
InChIKeyOUEOGPCPJNCCTH-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
CID 38996990
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24509870
N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 47182837
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24555905
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037469
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide (CID 60557715) is N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide is CCCCn1nccc1NC(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide?
The InChIKey is OUEOGPCPJNCCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-2-3-11-21-14(9-10-19-21)20-15(22)8-7-12-5-4-6-13(17)16(12)18/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,22).
What are the key properties of N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide?
N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide has a molecular weight of 340.25 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 60557715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).