3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H19N3O — CID 19346499

IUPAC3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-15(12(2)18(3)17-11)16-14(19)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyPCMYZZUVLWSGOK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds4

About 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 19346499) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID19346499
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-15(12(2)18(3)17-11)16-14(19)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyPCMYZZUVLWSGOK-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylpropanoate
CID 55404984
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 61252081
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 24543238
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 19346499) is 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is PCMYZZUVLWSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-15(12(2)18(3)17-11)16-14(19)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,16,19).
What are the key properties of 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 19346499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).