4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide

C16H20N4O2 — CID 17437803

IUPAC4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H20N4O2/c1-10-14(11(2)20-19-10)8-9-15(21)18-13-6-4-12(5-7-13)16(22)17-3/h4-7H,8-9H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyREIXANZYVMFAPB-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds5

About 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide

4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide (PubChem CID 17437803) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide
PubChem CID17437803
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H20N4O2/c1-10-14(11(2)20-19-10)8-9-15(21)18-13-6-4-12(5-7-13)16(22)17-3/h4-7H,8-9H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyREIXANZYVMFAPB-UHFFFAOYSA-N
XLogP1.96
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685607
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 50958341
N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
CID 24617794
4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]methyl]benzoic acid
CID 84613407
4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide
CID 30909554
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61221604
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide
CID 5392898
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-phenylphenyl)acetamide
CID 9319157
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide
CID 5054888
N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 687821
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 110685626
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 154802009

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide (CID 17437803) is 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide?
The InChIKey is REIXANZYVMFAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-14(11(2)20-19-10)8-9-15(21)18-13-6-4-12(5-7-13)16(22)17-3/h4-7H,8-9H2,1-3H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide?
4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 17437803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).