N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide

C25H25N5O2 — CID 135857473

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H25N5O2/c1-3-20-15-23(31)28-25(26-20)30-22(14-17(2)29-30)27-24(32)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,21H,3,16H2,1-2H3,(H,27,32)(H,26,28,31)
InChIKeyPWMPMXXUXXPNHX-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.99
Rot. Bonds7

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide (PubChem CID 135857473) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
PubChem CID135857473
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H25N5O2/c1-3-20-15-23(31)28-25(26-20)30-22(14-17(2)29-30)27-24(32)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,21H,3,16H2,1-2H3,(H,27,32)(H,26,28,31)
InChIKeyPWMPMXXUXXPNHX-UHFFFAOYSA-N
XLogP3.99
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide (CID 135857473) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The InChIKey is PWMPMXXUXXPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-3-20-15-23(31)28-25(26-20)30-22(14-17(2)29-30)27-24(32)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,21H,3,16H2,1-2H3,(H,27,32)(H,26,28,31).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide has a molecular weight of 427.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 135857473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).