3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole

C10H12N4 — CID 14128508

IUPAC3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole
SMILESCn1ncc2c1CCc1c-2cnn1C
InChIInChI=1S/C10H12N4/c1-13-9-3-4-10-8(6-12-14(10)2)7(9)5-11-13/h5-6H,3-4H2,1-2H3
InChIKeyPCBKWMDLARHWKN-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.92
Rot. Bonds

About 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole

3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole (PubChem CID 14128508) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole.

Molecular Properties

Compound Name3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole
PubChem CID14128508
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole
SMILESCn1ncc2c1CCc1c-2cnn1C
InChIInChI=1S/C10H12N4/c1-13-9-3-4-10-8(6-12-14(10)2)7(9)5-11-13/h5-6H,3-4H2,1-2H3
InChIKeyPCBKWMDLARHWKN-UHFFFAOYSA-N
XLogP0.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
CID 14128511
4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole
CID 138655189
(5E)-5-(hydroxymethylidene)-1-methyl-6,7-dihydroindazol-4-one
CID 13303059
(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindazol-4-one
CID 13303061
(5Z)-5-benzylidene-1-methyl-6,7-dihydroindazol-4-one
CID 47213484
(1-methyl-6,7-dihydroindazol-4-yl) acetate
CID 165347572
(5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one
CID 47037510
1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 86238304
2-(1-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[4,5-c]azepin-5-yl)acetic acid
CID 86820448
9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine
CID 168806512
(4S)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 92546797
5-(1-benzothiophen-3-ylmethylidene)-1-methyl-6,7-dihydroindazol-4-one
CID 71940906

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole?
The IUPAC name of 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole (CID 14128508) is 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole.
What is the SMILES notation for 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole?
The canonical SMILES for 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole is Cn1ncc2c1CCc1c-2cnn1C.
What is the InChIKey of 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole?
The InChIKey is PCBKWMDLARHWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-13-9-3-4-10-8(6-12-14(10)2)7(9)5-11-13/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole?
3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole has a molecular weight of 188.23 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole is sourced from PubChem (CID 14128508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).