N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide

C16H21N3O — CID 1078895

IUPACN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C16H21N3O/c1-6-15(20)17-16-12(4)18-19(13(16)5)14-8-7-10(2)11(3)9-14/h7-9H,6H2,1-5H3,(H,17,20)
InChIKeyABOXNORPRZTUNA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.45
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide

N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 1078895) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID1078895
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C16H21N3O/c1-6-15(20)17-16-12(4)18-19(13(16)5)14-8-7-10(2)11(3)9-14/h7-9H,6H2,1-5H3,(H,17,20)
InChIKeyABOXNORPRZTUNA-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 1251996
N-(2,3-dimethylphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861277
2-chloro-N-(3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl)acetamide
CID 2080976
2-Chloro-N-[1-(3,4-dimethyl-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-acetamide
CID 1119768
3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide
CID 3236386
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)propanamide
CID 9550893
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide
CID 46887106
N-(4-ethylphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 16008296
N-(3,4-dimethylphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861289
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide
CID 4449954
2-(3,5-Dimethyl-pyrazol-1-yl)-N-p-tolyl-acetamide
CID 646504
N-(2,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
CID 703660

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide (CID 1078895) is N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide is CCC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is ABOXNORPRZTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-15(20)17-16-12(4)18-19(13(16)5)14-8-7-10(2)11(3)9-14/h7-9H,6H2,1-5H3,(H,17,20).
What are the key properties of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 1078895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).