2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine

C8H14N4 — CID 135732760

IUPAC2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
SMILESNCCc1cnn2c1NCCC2
InChIInChI=1S/C8H14N4/c9-3-2-7-6-11-12-5-1-4-10-8(7)12/h6,10H,1-5,9H2
InChIKeyKZFSWJNOQPCISP-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.20
Rot. Bonds2

About 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine

2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine (PubChem CID 135732760) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
PubChem CID135732760
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
SMILESNCCc1cnn2c1NCCC2
InChIInChI=1S/C8H14N4/c9-3-2-7-6-11-12-5-1-4-10-8(7)12/h6,10H,1-5,9H2
InChIKeyKZFSWJNOQPCISP-UHFFFAOYSA-N
XLogP0.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridine
CID 135966088
3,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837497
3-iodo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 137131950
2-(1-methylpyrazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)ethanamine
CID 136196600
3-cyclopropyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136307804
5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137199621
3-Methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837506
3-Tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 153470238
3-Propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 153470373
Ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 170734184
7-(Difluoromethyl)-3-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837472
3,5-dimethyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837486

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
The IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine (CID 135732760) is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
The canonical SMILES for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine is NCCc1cnn2c1NCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
The InChIKey is KZFSWJNOQPCISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-3-2-7-6-11-12-5-1-4-10-8(7)12/h6,10H,1-5,9H2.
What are the key properties of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine has a molecular weight of 166.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine is sourced from PubChem (CID 135732760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).