1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

C6H6ClN3O — CID 141434045

IUPAC1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCl.O=c1ccnc2cc[nH]n12
InChIInChI=1S/C6H5N3O.ClH/c10-6-2-3-7-5-1-4-8-9(5)6;/h1-4,8H;1H
InChIKeyGZJVEVKLUYROJQ-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.44
Rot. Bonds

About 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 141434045) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID141434045
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCl.O=c1ccnc2cc[nH]n12
InChIInChI=1S/C6H5N3O.ClH/c10-6-2-3-7-5-1-4-8-9(5)6;/h1-4,8H;1H
InChIKeyGZJVEVKLUYROJQ-UHFFFAOYSA-N
XLogP0.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo[1,5-a]pyrimidin-7-ol
CID 335418
5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10534815
5-(aminomethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 84048439
Pyrazolo(3,2-c)(1,2,4)triazin-4-ol
CID 13465976
5-chloro-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13465974
5-(chloromethyl)-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 50988917
3-Bromo-4h-pyrazolo[1,5-a]pyrimidin-7-one
CID 83678939
5-(Azidomethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 137945328
5-(Aminomethyl)pyrazolo(1,5-a)pyrimidin-7-ol hydrochloride
CID 138987607
6-Amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide
CID 154832824
5-Methoxypyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 11062736
5-Aminopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 13396556

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 141434045) is 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cl.O=c1ccnc2cc[nH]n12.
What is the InChIKey of 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is GZJVEVKLUYROJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.ClH/c10-6-2-3-7-5-1-4-8-9(5)6;/h1-4,8H;1H.
What are the key properties of 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 171.59 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 141434045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).