N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide

C31H34N4O2 — CID 1056445

IUPACN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(C(=O)CCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C31H34N4O2/c1-22(2)34(29(37)20-17-25-11-7-5-8-12-25)21-28(36)32-31-30(26-13-9-6-10-14-26)24(4)33-35(31)27-18-15-23(3)16-19-27/h5-16,18-19,22H,17,20-21H2,1-4H3,(H,32,36)
InChIKeySSWPUNVAJPPXRF-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.96
Rot. Bonds9

About N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide

N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 1056445) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID1056445
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(C(=O)CCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C31H34N4O2/c1-22(2)34(29(37)20-17-25-11-7-5-8-12-25)21-28(36)32-31-30(26-13-9-6-10-14-26)24(4)33-35(31)27-18-15-23(3)16-19-27/h5-16,18-19,22H,17,20-21H2,1-4H3,(H,32,36)
InChIKeySSWPUNVAJPPXRF-UHFFFAOYSA-N
XLogP5.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide 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 N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide (CID 1056445) is N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide is Cc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(C(=O)CCc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is SSWPUNVAJPPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-22(2)34(29(37)20-17-25-11-7-5-8-12-25)21-28(36)32-31-30(26-13-9-6-10-14-26)24(4)33-35(31)27-18-15-23(3)16-19-27/h5-16,18-19,22H,17,20-21H2,1-4H3,(H,32,36).
What are the key properties of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 494.64 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 1056445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).