2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C10H17N3 — CID 163558012

IUPAC2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(C)c1cc2n(n1)CCCN2
InChIInChI=1S/C10H17N3/c1-3-8(2)9-7-10-11-5-4-6-13(10)12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyFOTPSNXXRQNKPO-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.21
Rot. Bonds2

About 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 163558012) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID163558012
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(C)c1cc2n(n1)CCCN2
InChIInChI=1S/C10H17N3/c1-3-8(2)9-7-10-11-5-4-6-13(10)12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyFOTPSNXXRQNKPO-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 163558012) is 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC(C)c1cc2n(n1)CCCN2.
What is the InChIKey of 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FOTPSNXXRQNKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-8(2)9-7-10-11-5-4-6-13(10)12-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163558012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).