3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide

C18H18N4O — CID 134596048

IUPAC3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
SMILESNCC(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-13-16(14-7-3-1-4-8-14)18(23)20-17-11-12-22(21-17)15-9-5-2-6-10-15/h1-12,16H,13,19H2,(H,20,21,23)
InChIKeyITDFIHLQBBTXJA-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide

3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide (PubChem CID 134596048) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
PubChem CID134596048
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
SMILESNCC(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-13-16(14-7-3-1-4-8-14)18(23)20-17-11-12-22(21-17)15-9-5-2-6-10-15/h1-12,16H,13,19H2,(H,20,21,23)
InChIKeyITDFIHLQBBTXJA-UHFFFAOYSA-N
XLogP2.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
CID 135566411
SR-318
CID 139030333
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
5-Methyl-2-[4-oxo-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid
CID 3540028
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-2-phenylacetamide
CID 135869428
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074
Gsk-5498A
CID 46945384
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
The IUPAC name of 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide (CID 134596048) is 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide is NCC(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
The InChIKey is ITDFIHLQBBTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-13-16(14-7-3-1-4-8-14)18(23)20-17-11-12-22(21-17)15-9-5-2-6-10-15/h1-12,16H,13,19H2,(H,20,21,23).
What are the key properties of 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 134596048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).