5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C10H17N3 — CID 136838478

IUPAC5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)CCC(C)N2
InChIInChI=1S/C10H17N3/c1-3-4-9-7-10-11-8(2)5-6-13(10)12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyMDGWVXWNZZNIAX-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.04
Rot. Bonds2

About 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838478) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838478
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)CCC(C)N2
InChIInChI=1S/C10H17N3/c1-3-4-9-7-10-11-8(2)5-6-13(10)12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyMDGWVXWNZZNIAX-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838478) is 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCc1cc2n(n1)CCC(C)N2.
What is the InChIKey of 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MDGWVXWNZZNIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-4-9-7-10-11-8(2)5-6-13(10)12-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).