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

C10H17N3 — CID 136841186

IUPAC3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NC(C)CC2C
InChIInChI=1S/C10H17N3/c1-4-9-6-11-13-8(3)5-7(2)12-10(9)13/h6-8,12H,4-5H2,1-3H3
InChIKeyQXBZEHZGNZJFIW-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.21
Rot. Bonds1

About 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841186) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841186
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NC(C)CC2C
InChIInChI=1S/C10H17N3/c1-4-9-6-11-13-8(3)5-7(2)12-10(9)13/h6-8,12H,4-5H2,1-3H3
InChIKeyQXBZEHZGNZJFIW-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841186) is 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NC(C)CC2C.
What is the InChIKey of 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QXBZEHZGNZJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-9-6-11-13-8(3)5-7(2)12-10(9)13/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).