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

C21H25N5O2 — CID 135731891

IUPACN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(CC)c2ccccc2)n1
InChIInChI=1S/C21H25N5O2/c1-4-9-16-13-19(27)24-21(22-16)26-18(12-14(3)25-26)23-20(28)17(5-2)15-10-7-6-8-11-15/h6-8,10-13,17H,4-5,9H2,1-3H3,(H,23,28)(H,22,24,27)
InChIKeyKOTDUKAFCDYLDR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.35
Rot. Bonds7

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

N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide (PubChem CID 135731891) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
PubChem CID135731891
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(CC)c2ccccc2)n1
InChIInChI=1S/C21H25N5O2/c1-4-9-16-13-19(27)24-21(22-16)26-18(12-14(3)25-26)23-20(28)17(5-2)15-10-7-6-8-11-15/h6-8,10-13,17H,4-5,9H2,1-3H3,(H,23,28)(H,22,24,27)
InChIKeyKOTDUKAFCDYLDR-UHFFFAOYSA-N
XLogP3.35
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.35
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]-2-phenylbutanamide?
The IUPAC name of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide (CID 135731891) is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide?
The canonical SMILES for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(CC)c2ccccc2)n1.
What is the InChIKey of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide?
The InChIKey is KOTDUKAFCDYLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-9-16-13-19(27)24-21(22-16)26-18(12-14(3)25-26)23-20(28)17(5-2)15-10-7-6-8-11-15/h6-8,10-13,17H,4-5,9H2,1-3H3,(H,23,28)(H,22,24,27).
What are the key properties of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide?
N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide has a molecular weight of 379.46 g/mol, XLogP of 3.35, 7 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]-2-phenylbutanamide is sourced from PubChem (CID 135731891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).