7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H25N3 — CID 137012007

IUPAC7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2cc(CCC(C)C)nn21
InChIInChI=1S/C14H25N3/c1-5-13-11(4)9-15-14-8-12(16-17(13)14)7-6-10(2)3/h8,10-11,13,15H,5-7,9H2,1-4H3
InChIKeyAVJRKNWIKPBVFX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.48
Rot. Bonds4

About 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 137012007) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID137012007
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2cc(CCC(C)C)nn21
InChIInChI=1S/C14H25N3/c1-5-13-11(4)9-15-14-8-12(16-17(13)14)7-6-10(2)3/h8,10-11,13,15H,5-7,9H2,1-4H3
InChIKeyAVJRKNWIKPBVFX-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 137012007) is 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC1C(C)CNc2cc(CCC(C)C)nn21.
What is the InChIKey of 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is AVJRKNWIKPBVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-13-11(4)9-15-14-8-12(16-17(13)14)7-6-10(2)3/h8,10-11,13,15H,5-7,9H2,1-4H3.
What are the key properties of 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 235.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137012007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).