3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine

C13H12N4 — CID 123332993

IUPAC3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine
SMILESCC1=CCC=CC(c2cnn3ccncc23)=N1
InChIInChI=1S/C13H12N4/c1-10-4-2-3-5-12(16-10)11-8-15-17-7-6-14-9-13(11)17/h3-9H,2H2,1H3
InChIKeyQQBXFPWLHCXKTI-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.38
Rot. Bonds1

About 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine

3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 123332993) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine
PubChem CID123332993
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine
SMILESCC1=CCC=CC(c2cnn3ccncc23)=N1
InChIInChI=1S/C13H12N4/c1-10-4-2-3-5-12(16-10)11-8-15-17-7-6-14-9-13(11)17/h3-9H,2H2,1H3
InChIKeyQQBXFPWLHCXKTI-UHFFFAOYSA-N
XLogP2.38
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117526
N,4-diethyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117517
3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine
CID 103123758
4-ethyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazole-3-sulfonamide
CID 103123852
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
2-[methyl(pyrazolo[1,5-a]pyrazin-3-ylmethyl)amino]ethanol
CID 103117662
3-imidazo[1,5-b]pyridazin-4-ylpyrazolo[1,5-c]pyrimidine
CID 134398330
2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid
CID 103123623
N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 103123638
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
(6-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
CID 103128814
N-(2-hydroxycyclohexyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120374

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine (CID 123332993) is 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine is CC1=CCC=CC(c2cnn3ccncc23)=N1.
What is the InChIKey of 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is QQBXFPWLHCXKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-10-4-2-3-5-12(16-10)11-8-15-17-7-6-14-9-13(11)17/h3-9H,2H2,1H3.
What are the key properties of 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine?
3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 224.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 123332993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).