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

C18H18FN5O2 — CID 135753225

IUPAC2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1
InChIInChI=1S/C18H18FN5O2/c1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19/h4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyAOULONUTYPKHLE-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.61
Rot. Bonds5

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

2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (PubChem CID 135753225) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
PubChem CID135753225
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1
InChIInChI=1S/C18H18FN5O2/c1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19/h4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyAOULONUTYPKHLE-UHFFFAOYSA-N
XLogP2.61
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
VU-1545
CID 11625520

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (CID 135753225) is 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-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)c2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is AOULONUTYPKHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19/h4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25).
What are the key properties of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?
2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 135753225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).