2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide

C20H20N4O2 — CID 95282131

IUPAC2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@@H](C(=O)Nc2ccn[nH]2)c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c1-13-8-9-14(2)16(12-13)19(25)23-18(15-6-4-3-5-7-15)20(26)22-17-10-11-21-24-17/h3-12,18H,1-2H3,(H,23,25)(H2,21,22,24,26)/t18-/m1/s1
InChIKeyLBOJVSQRDMIIHX-GOSISDBHSA-N
MW348.41 g/mol
LogP3.14
Rot. Bonds5

About 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide

2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide (PubChem CID 95282131) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
PubChem CID95282131
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@@H](C(=O)Nc2ccn[nH]2)c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c1-13-8-9-14(2)16(12-13)19(25)23-18(15-6-4-3-5-7-15)20(26)22-17-10-11-21-24-17/h3-12,18H,1-2H3,(H,23,25)(H2,21,22,24,26)/t18-/m1/s1
InChIKeyLBOJVSQRDMIIHX-GOSISDBHSA-N
XLogP3.14
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide (CID 95282131) is 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide is Cc1ccc(C)c(C(=O)N[C@@H](C(=O)Nc2ccn[nH]2)c2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The InChIKey is LBOJVSQRDMIIHX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-8-9-14(2)16(12-13)19(25)23-18(15-6-4-3-5-7-15)20(26)22-17-10-11-21-24-17/h3-12,18H,1-2H3,(H,23,25)(H2,21,22,24,26)/t18-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 95282131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).