N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide

C26H27N5O2 — CID 135731893

IUPACN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H27N5O2/c1-3-10-21-16-24(32)29-26(27-21)31-23(15-18(2)30-31)28-25(33)17-22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-16,22H,3,10,17H2,1-2H3,(H,28,33)(H,27,29,32)
InChIKeyYJKNOXLFISMHBN-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.38
Rot. Bonds8

About N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide

N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide (PubChem CID 135731893) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide
PubChem CID135731893
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H27N5O2/c1-3-10-21-16-24(32)29-26(27-21)31-23(15-18(2)30-31)28-25(33)17-22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-16,22H,3,10,17H2,1-2H3,(H,28,33)(H,27,29,32)
InChIKeyYJKNOXLFISMHBN-UHFFFAOYSA-N
XLogP4.38
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide (CID 135731893) is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide?
The InChIKey is YJKNOXLFISMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-3-10-21-16-24(32)29-26(27-21)31-23(15-18(2)30-31)28-25(33)17-22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-16,22H,3,10,17H2,1-2H3,(H,28,33)(H,27,29,32).
What are the key properties of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide?
N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide has a molecular weight of 441.54 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 135731893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).