N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide

C19H19N3O2 — CID 2853999

IUPACN-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C1C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C19H19N3O2/c1-13-17(18(20-14(2)23)15-9-5-3-6-10-15)19(24)22(21-13)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3,(H,20,23)
InChIKeyQNVJQRMSYMCIIV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds4

About N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide

N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide (PubChem CID 2853999) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide
PubChem CID2853999
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C1C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C19H19N3O2/c1-13-17(18(20-14(2)23)15-9-5-3-6-10-15)19(24)22(21-13)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3,(H,20,23)
InChIKeyQNVJQRMSYMCIIV-UHFFFAOYSA-N
XLogP2.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide?
The IUPAC name of N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide (CID 2853999) is N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)C1C(=O)N(c2ccccc2)N=C1C.
What is the InChIKey of N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide?
The InChIKey is QNVJQRMSYMCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-17(18(20-14(2)23)15-9-5-3-6-10-15)19(24)22(21-13)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3,(H,20,23).
What are the key properties of N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide?
N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 2853999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).