N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide

C14H17N3O — CID 35761194

IUPACN-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
SMILESCc1cc(NC(=O)CCc2ccccc2)nn1C
InChIInChI=1S/C14H17N3O/c1-11-10-13(16-17(11)2)15-14(18)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,18)
InChIKeyLLUFJGGHBJXXKH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds4

About N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide

N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide (PubChem CID 35761194) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
PubChem CID35761194
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
SMILESCc1cc(NC(=O)CCc2ccccc2)nn1C
InChIInChI=1S/C14H17N3O/c1-11-10-13(16-17(11)2)15-14(18)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,18)
InChIKeyLLUFJGGHBJXXKH-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813385
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
3-amino-N-(1,5-dimethylpyrazol-3-yl)propanamide;4-[(1,5-dimethylpyrazol-3-yl)amino]-4-oxobutanoic acid;hydrochloride
CID 161136989
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
1-benzyl-3-(1,5-dimethylpyrazol-3-yl)-1-propan-2-ylurea
CID 108813256
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 19335401
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide (CID 35761194) is N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide is Cc1cc(NC(=O)CCc2ccccc2)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide?
The InChIKey is LLUFJGGHBJXXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-10-13(16-17(11)2)15-14(18)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,18).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide?
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 35761194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).