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

C7H7ClN4O — CID 115021572

IUPAC5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNCc1cc(=O)n2[nH]cc(Cl)c2n1
InChIInChI=1S/C7H7ClN4O/c8-5-3-10-12-6(13)1-4(2-9)11-7(5)12/h1,3,10H,2,9H2
InChIKeyBJTDOICUIWMJDL-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.13
Rot. Bonds1

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

5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115021572) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115021572
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNCc1cc(=O)n2[nH]cc(Cl)c2n1
InChIInChI=1S/C7H7ClN4O/c8-5-3-10-12-6(13)1-4(2-9)11-7(5)12/h1,3,10H,2,9H2
InChIKeyBJTDOICUIWMJDL-UHFFFAOYSA-N
XLogP0.13
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115021572) is 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one is NCc1cc(=O)n2[nH]cc(Cl)c2n1.
What is the InChIKey of 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BJTDOICUIWMJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c8-5-3-10-12-6(13)1-4(2-9)11-7(5)12/h1,3,10H,2,9H2.
What are the key properties of 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 198.61 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115021572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).