3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one

C18H17FN4O2 — CID 91519411

IUPAC3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one
SMILESCCc1cnc(-c2ccn(Cc3ccccc3F)n2)n(C(C)=O)c1=O
InChIInChI=1S/C18H17FN4O2/c1-3-13-10-20-17(23(12(2)24)18(13)25)16-8-9-22(21-16)11-14-6-4-5-7-15(14)19/h4-10H,3,11H2,1-2H3
InChIKeyKLXHGZXHABCAIN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.52
Rot. Bonds4

About 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one

3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one (PubChem CID 91519411) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one
PubChem CID91519411
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one
SMILESCCc1cnc(-c2ccn(Cc3ccccc3F)n2)n(C(C)=O)c1=O
InChIInChI=1S/C18H17FN4O2/c1-3-13-10-20-17(23(12(2)24)18(13)25)16-8-9-22(21-16)11-14-6-4-5-7-15(14)19/h4-10H,3,11H2,1-2H3
InChIKeyKLXHGZXHABCAIN-UHFFFAOYSA-N
XLogP2.52
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one 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-(2,6-Diethylphenyl)-5-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 137198123
3-(2,6-diethylphenyl)-5-[(3R)-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 168287693
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
5-chloro-1-[(2S)-2-methylbutyl]-3-pyrazol-1-yl-6-(2,4,6-trifluorophenyl)pyrazin-2-one
CID 24901079
2-(1-methylpyrazol-3-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 44231438
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(1-methylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686318
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698281
6-[2-(3-Fluorophenyl)ethyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132258853
6-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259538
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 16286690
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 24820103
5-Chloro-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-(1H-pyrazol-1-yl)-2(1H)-pyrazinone
CID 11660585

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one?
The IUPAC name of 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one (CID 91519411) is 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one.
What is the SMILES notation for 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one?
The canonical SMILES for 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one is CCc1cnc(-c2ccn(Cc3ccccc3F)n2)n(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one?
The InChIKey is KLXHGZXHABCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-3-13-10-20-17(23(12(2)24)18(13)25)16-8-9-22(21-16)11-14-6-4-5-7-15(14)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one?
3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one has a molecular weight of 340.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-one is sourced from PubChem (CID 91519411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).