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

C18H18FN5O2 — CID 135551670

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c1=O
InChIInChI=1S/C18H18FN5O2/c1-4-12-11(3)20-18(22-16(12)25)24-15(9-10(2)23-24)21-17(26)13-7-5-6-8-14(13)19/h5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25)
InChIKeyKYYUMHRXRFOHMJ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.53
Rot. Bonds4

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

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 135551670) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
PubChem CID135551670
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c1=O
InChIInChI=1S/C18H18FN5O2/c1-4-12-11(3)20-18(22-16(12)25)24-15(9-10(2)23-24)21-17(26)13-7-5-6-8-14(13)19/h5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25)
InChIKeyKYYUMHRXRFOHMJ-UHFFFAOYSA-N
XLogP2.53
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 135551670) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is KYYUMHRXRFOHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-4-12-11(3)20-18(22-16(12)25)24-15(9-10(2)23-24)21-17(26)13-7-5-6-8-14(13)19/h5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 355.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 135551670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).