3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C9H13N3 — CID 141059813

IUPAC3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESC=CCc1cnn2c1NCCC2
InChIInChI=1S/C9H13N3/c1-2-4-8-7-11-12-6-3-5-10-9(8)12/h2,7,10H,1,3-6H2
InChIKeyHXNGOAVURNCZCK-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.43
Rot. Bonds2

About 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 141059813) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID141059813
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESC=CCc1cnn2c1NCCC2
InChIInChI=1S/C9H13N3/c1-2-4-8-7-11-12-6-3-5-10-9(8)12/h2,7,10H,1,3-6H2
InChIKeyHXNGOAVURNCZCK-UHFFFAOYSA-N
XLogP1.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135627629
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
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
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
7-(Difluoromethyl)-3-ethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136841167

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 141059813) is 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is C=CCc1cnn2c1NCCC2.
What is the InChIKey of 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HXNGOAVURNCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-4-8-7-11-12-6-3-5-10-9(8)12/h2,7,10H,1,3-6H2.
What are the key properties of 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141059813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).