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

C19H22N4O2 — CID 135721203

IUPAC3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCOc1ccccc1Cc1nc2c(C3CCCC3)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C19H22N4O2/c1-2-25-14-10-6-5-9-13(14)11-15-20-17-16(12-7-3-4-8-12)22-23-18(17)19(24)21-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,22,23)(H,20,21,24)
InChIKeyRYXVXGGRSUHNIH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.29
Rot. Bonds5

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

3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135721203) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135721203
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCOc1ccccc1Cc1nc2c(C3CCCC3)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C19H22N4O2/c1-2-25-14-10-6-5-9-13(14)11-15-20-17-16(12-7-3-4-8-12)22-23-18(17)19(24)21-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,22,23)(H,20,21,24)
InChIKeyRYXVXGGRSUHNIH-UHFFFAOYSA-N
XLogP3.29
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721150
3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 162578810
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-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 142238501
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
4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135994997
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 115926310
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 136692612
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50970762
4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136729851

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135721203) is 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CCOc1ccccc1Cc1nc2c(C3CCCC3)[nH]nc2c(=O)[nH]1.
What is the InChIKey of 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is RYXVXGGRSUHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-25-14-10-6-5-9-13(14)11-15-20-17-16(12-7-3-4-8-12)22-23-18(17)19(24)21-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,22,23)(H,20,21,24).
What are the key properties of 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 338.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135721203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).