ethane;2-methylpyrazolo[1,5-c]pyrimidine

C9H13N3 — CID 144655831

IUPACethane;2-methylpyrazolo[1,5-c]pyrimidine
SMILESCC.Cc1cc2ccncn2n1
InChIInChI=1S/C7H7N3.C2H6/c1-6-4-7-2-3-8-5-10(7)9-6;1-2/h2-5H,1H3;1-2H3
InChIKeyXPQQZKSPBGHHJP-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.06
Rot. Bonds

About ethane;2-methylpyrazolo[1,5-c]pyrimidine

ethane;2-methylpyrazolo[1,5-c]pyrimidine (PubChem CID 144655831) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is ethane;2-methylpyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Nameethane;2-methylpyrazolo[1,5-c]pyrimidine
PubChem CID144655831
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameethane;2-methylpyrazolo[1,5-c]pyrimidine
SMILESCC.Cc1cc2ccncn2n1
InChIInChI=1S/C7H7N3.C2H6/c1-6-4-7-2-3-8-5-10(7)9-6;1-2/h2-5H,1H3;1-2H3
InChIKeyXPQQZKSPBGHHJP-UHFFFAOYSA-N
XLogP2.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methylpyrazolo[1,5-b]pyridazine;2-propan-2-ylpyrazolo[1,5-c]pyrimidine
CID 144656064
2,6-dimethylpyrazolo[1,5-b]pyridazine;ethane
CID 143791087
5-bromo-2-methylpyrazolo[1,5-a]pyridine
CID 82394705
ethane;3-methylimidazo[1,5-a]pyridine;2-methylpyrazolo[1,5-a]pyridine
CID 144656039
1-(2-methylpyrazolo[1,5-a]pyridin-6-yl)propan-2-one
CID 83876913
5,6-dimethylpyrazolo[1,5-a]pyridine;ethane
CID 90867450
N'-hydroxy-2-methylpyrazolo[1,5-a]pyridine-6-carboximidamide
CID 83877427
3-methylpyrazolo[1,5-c]pyrimidin-2-amine
CID 68765492
6-chloro-2-methylpyrazolo[1,5-a]pyrazine
CID 154675893
(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105129319
1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone
CID 58300336
ethane;4-methylpyridine
CID 54305436

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyrazolo[1,5-c]pyrimidine?
The IUPAC name of ethane;2-methylpyrazolo[1,5-c]pyrimidine (CID 144655831) is ethane;2-methylpyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for ethane;2-methylpyrazolo[1,5-c]pyrimidine?
The canonical SMILES for ethane;2-methylpyrazolo[1,5-c]pyrimidine is CC.Cc1cc2ccncn2n1.
What is the InChIKey of ethane;2-methylpyrazolo[1,5-c]pyrimidine?
The InChIKey is XPQQZKSPBGHHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2H6/c1-6-4-7-2-3-8-5-10(7)9-6;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;2-methylpyrazolo[1,5-c]pyrimidine?
ethane;2-methylpyrazolo[1,5-c]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 144655831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).