4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one

C10H11N7O2 — CID 103995180

IUPAC4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C10H11N7O2/c1-19-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15)
InChIKeySBCIEDIEUZEHIQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.44
Rot. Bonds3

About 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one

4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one (PubChem CID 103995180) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
PubChem CID103995180
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C10H11N7O2/c1-19-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15)
InChIKeySBCIEDIEUZEHIQ-UHFFFAOYSA-N
XLogP-0.44
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-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

4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995179
4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995176
5-methyl-2-(7H-purin-6-yl)-1H-pyrazole-3-thione
CID 62409844
5-tert-butyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 66022951
4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 103995448
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
methyl 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylate
CID 168695495
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine
CID 62677725
5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine
CID 79521441
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
methanol;7H-purin-6-amine
CID 67194832

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one (CID 103995180) is 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one is COCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N.
What is the InChIKey of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The InChIKey is SBCIEDIEUZEHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c1-19-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15).
What are the key properties of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one has a molecular weight of 261.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 103995180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).