7-Chloropyrazolo[1,5-a]pyrimidine

C6H4ClN3 — CID 12281647

IUPAC7-chloropyrazolo[1,5-a]pyrimidine
SMILESC1=C2N=CC=C(N2N=C1)Cl
InChIInChI=1S/C6H4ClN3/c7-5-1-3-8-6-2-4-9-10(5)6/h1-4H
InChIKeyYCZQHXPIKQHABJ-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.30
Rot. Bonds

About 7-Chloropyrazolo[1,5-a]pyrimidine

7-Chloropyrazolo[1,5-a]pyrimidine (PubChem CID 12281647) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 7-chloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-Chloropyrazolo[1,5-a]pyrimidine
PubChem CID12281647
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name7-chloropyrazolo[1,5-a]pyrimidine
SMILESC1=C2N=CC=C(N2N=C1)Cl
InChIInChI=1S/C6H4ClN3/c7-5-1-3-8-6-2-4-9-10(5)6/h1-4H
InChIKeyYCZQHXPIKQHABJ-UHFFFAOYSA-N
XLogP1.30
TPSA30.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
1,2,4-Triazolo(1,5-a)pyrimidine
CID 636456
Pyrazolo(1,5-a)pyrimidine
CID 11636795
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 219751
7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 2807616
5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
B-(1-(6-Chloro-4-pyrimidinyl)-1H-pyrazol-4-yl)boronic acid
CID 46738749
2,4-Dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13000580
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137

Frequently Asked Questions

What is the IUPAC name of 7-Chloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-Chloropyrazolo[1,5-a]pyrimidine (CID 12281647) is 7-chloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-Chloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-Chloropyrazolo[1,5-a]pyrimidine is C1=C2N=CC=C(N2N=C1)Cl.
What is the InChIKey of 7-Chloropyrazolo[1,5-a]pyrimidine?
The InChIKey is YCZQHXPIKQHABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-5-1-3-8-6-2-4-9-10(5)6/h1-4H.
What are the key properties of 7-Chloropyrazolo[1,5-a]pyrimidine?
7-Chloropyrazolo[1,5-a]pyrimidine has a molecular weight of 153.57 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Chloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12281647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).