6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane

C14H21ClN4 — CID 142484560

IUPAC6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane
SMILESCC.Cc1nn(C2CCCCC2)c2nc(Cl)cnc12
InChIInChI=1S/C12H15ClN4.C2H6/c1-8-11-12(15-10(13)7-14-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyLNNVWMBGCGRFOF-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.32
Rot. Bonds1

About 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane

6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane (PubChem CID 142484560) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane.

Molecular Properties

Compound Name6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane
PubChem CID142484560
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane
SMILESCC.Cc1nn(C2CCCCC2)c2nc(Cl)cnc12
InChIInChI=1S/C12H15ClN4.C2H6/c1-8-11-12(15-10(13)7-14-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyLNNVWMBGCGRFOF-UHFFFAOYSA-N
XLogP4.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane
CID 163234486
6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine
CID 175891792
1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine
CID 54236177
5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
CID 66023049
ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11301265
5-chloro-1-cycloheptyl-3-methylpyrazole-4-carboxylic acid
CID 61273239
2-chloro-6-cyclopropyl-7-methylthieno[2,3-b]pyrazine;ethane
CID 169232934
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
CID 55032261
5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol
CID 162735522
3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine
CID 130328976
1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole
CID 135857529

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane?
The IUPAC name of 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane (CID 142484560) is 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane.
What is the SMILES notation for 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane?
The canonical SMILES for 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane is CC.Cc1nn(C2CCCCC2)c2nc(Cl)cnc12.
What is the InChIKey of 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane?
The InChIKey is LNNVWMBGCGRFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4.C2H6/c1-8-11-12(15-10(13)7-14-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3.
What are the key properties of 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane?
6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane has a molecular weight of 280.80 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane is sourced from PubChem (CID 142484560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).