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

C10H19N3 — CID 142538397

IUPACethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC.CCc1cnn2c1NCCC2
InChIInChI=1S/C8H13N3.C2H6/c1-2-7-6-10-11-5-3-4-9-8(7)11;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeyRMNRDEAPJVXBGW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.29
Rot. Bonds1

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

ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 142538397) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID142538397
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Nameethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC.CCc1cnn2c1NCCC2
InChIInChI=1S/C8H13N3.C2H6/c1-2-7-6-10-11-5-3-4-9-8(7)11;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeyRMNRDEAPJVXBGW-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 142538397) is ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC.CCc1cnn2c1NCCC2.
What is the InChIKey of ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RMNRDEAPJVXBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-2-7-6-10-11-5-3-4-9-8(7)11;1-2/h6,9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 181.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142538397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).