ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

C14H25N3 — CID 168939363

IUPACethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC.CC.Cc1cnc2cc(C(C)C)nn2c1
InChIInChI=1S/C10H13N3.2C2H6/c1-7(2)9-4-10-11-5-8(3)6-13(10)12-9;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyKLTVWZMCLMYDBM-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.21
Rot. Bonds1

About ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 168939363) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID168939363
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Nameethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC.CC.Cc1cnc2cc(C(C)C)nn2c1
InChIInChI=1S/C10H13N3.2C2H6/c1-7(2)9-4-10-11-5-8(3)6-13(10)12-9;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyKLTVWZMCLMYDBM-UHFFFAOYSA-N
XLogP4.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84786283
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
CID 84806251
1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
CID 84790994
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84786594
6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyridine
CID 170343546
2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 59747998
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84725727
2-fluoro-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 145436390
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
6-methylpyrazolo[1,5-a]pyrimidine
CID 12773553
6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 84681999
2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)
CID 165080148

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 168939363) is ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC.CC.Cc1cnc2cc(C(C)C)nn2c1.
What is the InChIKey of ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KLTVWZMCLMYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.2C2H6/c1-7(2)9-4-10-11-5-8(3)6-13(10)12-9;2*1-2/h4-7H,1-3H3;2*1-2H3.
What are the key properties of ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 235.37 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 168939363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).