N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide

C15H19N3O — CID 19328839

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1cc(CNC(=O)CCc2ccccc2)nn1C
InChIInChI=1S/C15H19N3O/c1-12-10-14(17-18(12)2)11-16-15(19)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,16,19)
InChIKeyHULHREMSSLAEMI-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide (PubChem CID 19328839) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
PubChem CID19328839
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1cc(CNC(=O)CCc2ccccc2)nn1C
InChIInChI=1S/C15H19N3O/c1-12-10-14(17-18(12)2)11-16-15(19)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,16,19)
InChIKeyHULHREMSSLAEMI-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea
CID 19584926
1-benzyl-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 17380994
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
CID 71808571
N-[(1-ethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19330999
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19328913
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 661785
3-benzyl-1,5-dimethylpyrazole
CID 13225476
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42526152

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide (CID 19328839) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide is Cc1cc(CNC(=O)CCc2ccccc2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is HULHREMSSLAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-10-14(17-18(12)2)11-16-15(19)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,16,19).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 257.34 g/mol, XLogP of 1.98, 5 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)methyl]-3-phenylpropanamide is sourced from PubChem (CID 19328839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).