N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

C13H13Cl2N3O — CID 19555733

IUPACN-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-9-5-7-18(17-9)8-6-12(19)16-13-10(14)3-2-4-11(13)15/h2-5,7H,6,8H2,1H3,(H,16,19)
InChIKeyDMZBULLOKOLNSO-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.53
Rot. Bonds4

About N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555733) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555733
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-9-5-7-18(17-9)8-6-12(19)16-13-10(14)3-2-4-11(13)15/h2-5,7H,6,8H2,1H3,(H,16,19)
InChIKeyDMZBULLOKOLNSO-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565820
3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19555789
N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339411
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559526
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 19559871
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
N-(1,5-dimethylpyrazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555805
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559486
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 131932476
N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444507

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 19555733) is N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is DMZBULLOKOLNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-9-5-7-18(17-9)8-6-12(19)16-13-10(14)3-2-4-11(13)15/h2-5,7H,6,8H2,1H3,(H,16,19).
What are the key properties of N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 298.17 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).