3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C19H24N4O2 — CID 142238501

IUPAC3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCC(CC)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC)nc12
InChIInChI=1S/C19H24N4O2/c1-4-8-12(5-2)16-17-18(23-22-16)19(24)21-15(20-17)11-13-9-6-7-10-14(13)25-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyVXQVOWJDVKFELJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.54
Rot. Bonds7

About 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 142238501) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID142238501
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCC(CC)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC)nc12
InChIInChI=1S/C19H24N4O2/c1-4-8-12(5-2)16-17-18(23-22-16)19(24)21-15(20-17)11-13-9-6-7-10-14(13)25-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyVXQVOWJDVKFELJ-UHFFFAOYSA-N
XLogP3.54
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 162578810
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135440149
3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721203
5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135540509
2-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 135575576
2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475189
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217
2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494244
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721150
4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135994997

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 142238501) is 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CCCC(CC)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC)nc12.
What is the InChIKey of 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is VXQVOWJDVKFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-8-12(5-2)16-17-18(23-22-16)19(24)21-15(20-17)11-13-9-6-7-10-14(13)25-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,22,23)(H,20,21,24).
What are the key properties of 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 340.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 142238501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).