3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide

C21H24N4O2 — CID 130459810

IUPAC3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(-c3ccccc3)[nH]n(C)c2=O)c1C
InChIInChI=1S/C21H24N4O2/c1-4-22-18-12-8-11-16(14(18)2)20(26)23-13-17-19(24-25(3)21(17)27)15-9-6-5-7-10-15/h5-12,22,24H,4,13H2,1-3H3,(H,23,26)
InChIKeyUVNANGPHYHFSPH-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.05
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide

3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 130459810) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID130459810
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(-c3ccccc3)[nH]n(C)c2=O)c1C
InChIInChI=1S/C21H24N4O2/c1-4-22-18-12-8-11-16(14(18)2)20(26)23-13-17-19(24-25(3)21(17)27)15-9-6-5-7-10-15/h5-12,22,24H,4,13H2,1-3H3,(H,23,26)
InChIKeyUVNANGPHYHFSPH-UHFFFAOYSA-N
XLogP3.05
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide (CID 130459810) is 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide is CCNc1cccc(C(=O)NCc2c(-c3ccccc3)[nH]n(C)c2=O)c1C.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is UVNANGPHYHFSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-22-18-12-8-11-16(14(18)2)20(26)23-13-17-19(24-25(3)21(17)27)15-9-6-5-7-10-15/h5-12,22,24H,4,13H2,1-3H3,(H,23,26).
What are the key properties of 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 130459810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).