3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole

C16H22N4 — CID 14185405

IUPAC3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole
SMILESCCCn1nc(C)c2cc3c(C)nn(CCC)c3cc21
InChIInChI=1S/C16H22N4/c1-5-7-19-15-10-16-14(9-13(15)11(3)17-19)12(4)18-20(16)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyCBKQPKOXVRJSHK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.82
Rot. Bonds4

About 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole

3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole (PubChem CID 14185405) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole.

Molecular Properties

Compound Name3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole
PubChem CID14185405
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole
SMILESCCCn1nc(C)c2cc3c(C)nn(CCC)c3cc21
InChIInChI=1S/C16H22N4/c1-5-7-19-15-10-16-14(9-13(15)11(3)17-19)12(4)18-20(16)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyCBKQPKOXVRJSHK-UHFFFAOYSA-N
XLogP3.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole?
The IUPAC name of 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole (CID 14185405) is 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole.
What is the SMILES notation for 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole?
The canonical SMILES for 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole is CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc21.
What is the InChIKey of 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole?
The InChIKey is CBKQPKOXVRJSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-7-19-15-10-16-14(9-13(15)11(3)17-19)12(4)18-20(16)8-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole?
3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole has a molecular weight of 270.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,7-dipropylpyrazolo[4,3-f]indazole is sourced from PubChem (CID 14185405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).