N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide

C18H16N4O2 — CID 24861475

IUPACN-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)c2c(N)n[nH]c2-c2ccccc2)c1
InChIInChI=1S/C18H16N4O2/c1-11(23)20-14-9-5-8-13(10-14)17(24)15-16(21-22-18(15)19)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,23)(H3,19,21,22)
InChIKeyVNIKRFNLMDSSLL-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.85
Rot. Bonds4

About N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide

N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide (PubChem CID 24861475) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide
PubChem CID24861475
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)c2c(N)n[nH]c2-c2ccccc2)c1
InChIInChI=1S/C18H16N4O2/c1-11(23)20-14-9-5-8-13(10-14)17(24)15-16(21-22-18(15)19)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,23)(H3,19,21,22)
InChIKeyVNIKRFNLMDSSLL-UHFFFAOYSA-N
XLogP2.85
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone
CID 70102797
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-(3-benzoyl-5-phenylphenyl)acetamide
CID 59842795
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
3-(3-acetamidophenyl)-5-aminobenzoic acid
CID 53227021
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide
CID 159322428
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide (CID 24861475) is N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)c2c(N)n[nH]c2-c2ccccc2)c1.
What is the InChIKey of N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide?
The InChIKey is VNIKRFNLMDSSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11(23)20-14-9-5-8-13(10-14)17(24)15-16(21-22-18(15)19)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,23)(H3,19,21,22).
What are the key properties of N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide?
N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide has a molecular weight of 320.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 24861475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).