3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C8H10N4O — CID 82503557

IUPAC3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(CN)c2n1
InChIInChI=1S/C8H10N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,3,9H2,1H3
InChIKeyLXBUJBIMFIFRKM-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.21
Rot. Bonds1

About 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82503557) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82503557
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(CN)c2n1
InChIInChI=1S/C8H10N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,3,9H2,1H3
InChIKeyLXBUJBIMFIFRKM-UHFFFAOYSA-N
XLogP-0.21
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274273
3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22029345
3-(3,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274180
5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115021572
3-iodo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 114514470
methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 110485775
3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 6484562
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926774
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621503
N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926751

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82503557) is 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(CN)c2n1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LXBUJBIMFIFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,3,9H2,1H3.
What are the key properties of 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 178.19 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82503557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).