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

C14H13Cl2N3O2 — CID 917582

IUPACN-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
SMILESCc1ccn(C(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-9-6-7-19(18-9)14(21)5-4-13(20)17-12-3-2-10(15)8-11(12)16/h2-3,6-8H,4-5H2,1H3,(H,17,20)
InChIKeyKJVSPYRWQAWDQQ-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.56
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide (PubChem CID 917582) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
PubChem CID917582
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC NameN-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
SMILESCc1ccn(C(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-9-6-7-19(18-9)14(21)5-4-13(20)17-12-3-2-10(15)8-11(12)16/h2-3,6-8H,4-5H2,1H3,(H,17,20)
InChIKeyKJVSPYRWQAWDQQ-UHFFFAOYSA-N
XLogP3.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
CID 917602
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)propanamide
CID 923083
methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679355

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide (CID 917582) is N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide is Cc1ccn(C(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
The InChIKey is KJVSPYRWQAWDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-9-6-7-19(18-9)14(21)5-4-13(20)17-12-3-2-10(15)8-11(12)16/h2-3,6-8H,4-5H2,1H3,(H,17,20).
What are the key properties of N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide has a molecular weight of 326.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 917582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).