4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C6H9N3 — CID 135627629

IUPAC4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1cc2n(n1)CCCN2
InChIInChI=1S/C6H9N3/c1-3-7-6-2-4-8-9(6)5-1/h2,4,7H,1,3,5H2
InChIKeyHJFZVTDRWQVFDN-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.70
Rot. Bonds

About 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135627629) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135627629
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1cc2n(n1)CCCN2
InChIInChI=1S/C6H9N3/c1-3-7-6-2-4-8-9(6)5-1/h2,4,7H,1,3,5H2
InChIKeyHJFZVTDRWQVFDN-UHFFFAOYSA-N
XLogP0.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydro-1H-imidazo(1,2-b)pyrazole
CID 242471
1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
2-Piperidin-4-yl-2H-pyrazol-3-ylamine
CID 649859
1-Butyl-1H-pyrazol-5-amine
CID 642216
1-Propyl-1H-pyrazol-5-amine
CID 1084923
1-(2-fluoroethyl)-1H-pyrazol-5-amine
CID 21904553
N,1-dimethyl-1H-pyrazol-5-amine
CID 54594771
N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 63090550

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135627629) is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1cc2n(n1)CCCN2.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HJFZVTDRWQVFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-7-6-2-4-8-9(6)5-1/h2,4,7H,1,3,5H2.
What are the key properties of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 123.16 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135627629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).