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

C19H21N5O2 — CID 135753208

IUPAC4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H21N5O2/c1-4-5-15-11-17(25)22-19(20-15)24-16(10-13(3)23-24)21-18(26)14-8-6-12(2)7-9-14/h6-11H,4-5H2,1-3H3,(H,21,26)(H,20,22,25)
InChIKeyTWIKPAMDAGITTL-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.78
Rot. Bonds5

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

4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (PubChem CID 135753208) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
PubChem CID135753208
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H21N5O2/c1-4-5-15-11-17(25)22-19(20-15)24-16(10-13(3)23-24)21-18(26)14-8-6-12(2)7-9-14/h6-11H,4-5H2,1-3H3,(H,21,26)(H,20,22,25)
InChIKeyTWIKPAMDAGITTL-UHFFFAOYSA-N
XLogP2.78
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (CID 135753208) is 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is TWIKPAMDAGITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-5-15-11-17(25)22-19(20-15)24-16(10-13(3)23-24)21-18(26)14-8-6-12(2)7-9-14/h6-11H,4-5H2,1-3H3,(H,21,26)(H,20,22,25).
What are the key properties of 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 135753208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).