6-chloropyrazolo[1,5-a]pyrimidin-3-amine

C6H5ClN4 — CID 84717303

IUPAC6-chloropyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(Cl)cnc12
InChIInChI=1S/C6H5ClN4/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H,8H2
InChIKeyZQOZAOYBPVQHNF-UHFFFAOYSA-N
MW168.59 g/mol
LogP0.96
Rot. Bonds

About 6-chloropyrazolo[1,5-a]pyrimidin-3-amine

6-chloropyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 84717303) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 6-chloropyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name6-chloropyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID84717303
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name6-chloropyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(Cl)cnc12
InChIInChI=1S/C6H5ClN4/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H,8H2
InChIKeyZQOZAOYBPVQHNF-UHFFFAOYSA-N
XLogP0.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
Pyrazolo[1,5-a]pyrimidin-2-amine
CID 45602167
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
1-Methyl-6-(trichloromethyl)pyrazolo[3,4-b]pyrazin-3-amine
CID 296470
Pyrazolo[1,5-a]pyrimidin-3-amine
CID 21192071
5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 58611206
N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 91447993
5-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 129230006
3-N,3-N,5-N,5-N-tetramethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 176142004
Pyrazolo(1,5-a)pyrimidin-3-amine hydrochloride
CID 21192070
6-Methylpyrazolo(1,5-a)pyrimidin-3-amine
CID 60136465

Frequently Asked Questions

What is the IUPAC name of 6-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 6-chloropyrazolo[1,5-a]pyrimidin-3-amine (CID 84717303) is 6-chloropyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 6-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 6-chloropyrazolo[1,5-a]pyrimidin-3-amine is Nc1cnn2cc(Cl)cnc12.
What is the InChIKey of 6-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is ZQOZAOYBPVQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H,8H2.
What are the key properties of 6-chloropyrazolo[1,5-a]pyrimidin-3-amine?
6-chloropyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 168.59 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 84717303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).