1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C17H18N4O — CID 137007127

IUPAC1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(/C=C/c3ccccc3)nc12
InChIInChI=1S/C17H18N4O/c1-3-7-13-15-16(21(2)20-13)17(22)19-14(18-15)11-10-12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,18,19,22)/b11-10+
InChIKeyHKBXADACKVIOFS-ZHACJKMWSA-N
MW294.36 g/mol
LogP2.78
Rot. Bonds4

About 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 137007127) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID137007127
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(/C=C/c3ccccc3)nc12
InChIInChI=1S/C17H18N4O/c1-3-7-13-15-16(21(2)20-13)17(22)19-14(18-15)11-10-12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,18,19,22)/b11-10+
InChIKeyHKBXADACKVIOFS-ZHACJKMWSA-N
XLogP2.78
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoroethyl)-3-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137305682
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]benzamide
CID 1247478
5-(4-Chloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626422
1,3-Dimethyl-5-(4-nitro-phenyl)-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626430
5-(4-Amino-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626433
5-Benzyl-1-ethyl-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626435
1-Ethyl-3-methyl-5-phenyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626436
5-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626438
5-(3,4-Dichloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626440
1,3-Dimethyl-5-p-tolyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626444
5-methyl-1-(2,2,2-trifluoroethyl)-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137157979

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 137007127) is 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(/C=C/c3ccccc3)nc12.
What is the InChIKey of 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is HKBXADACKVIOFS-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-7-13-15-16(21(2)20-13)17(22)19-14(18-15)11-10-12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,18,19,22)/b11-10+.
What are the key properties of 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 294.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 137007127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).