5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C16H18N4O2 — CID 135740146

IUPAC5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIInChI=1S/C16H18N4O2/c1-3-7-11-13-14(20-19-11)16(21)18-15(17-13)10-8-5-6-9-12(10)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyLSJMCZVDVVSHJA-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.66
Rot. Bonds5

About 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135740146) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135740146
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIInChI=1S/C16H18N4O2/c1-3-7-11-13-14(20-19-11)16(21)18-15(17-13)10-8-5-6-9-12(10)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyLSJMCZVDVVSHJA-UHFFFAOYSA-N
XLogP2.66
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Gendenafil
CID 135559102
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
5-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135433645
3-isopropyl-5-(2-(2-morpholinoethoxy)benzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135457869
3-isopropyl-5-(2-(trifluoromethoxy)benzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135484473
5-(2-(benzyloxy)benzyl)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135721222
trans CM-414
CID 136299192
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide
CID 136645396
2-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]cyclohex-3-en-1-yl]-N-hydroxyacetamide
CID 136645397
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohex-3-ene-1-carboxamide
CID 136645405
3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)anilino]-N-hydroxypropanamide
CID 136645447
2-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]methyl]phenyl]-N-hydroxyacetamide
CID 136985286

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135740146) is 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CCCc1[nH]nc2c(=O)[nH]c(-c3ccccc3OCC)nc12.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is LSJMCZVDVVSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-7-11-13-14(20-19-11)16(21)18-15(17-13)10-8-5-6-9-12(10)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 298.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135740146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).