5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole

C11H15N3 — CID 123984516

IUPAC5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole
SMILESCC1(C)Cc2cn[nH]c2C2=NCCC21
InChIInChI=1S/C11H15N3/c1-11(2)5-7-6-13-14-9(7)10-8(11)3-4-12-10/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyFIFOZBULHFHKEK-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.80
Rot. Bonds

About 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole

5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole (PubChem CID 123984516) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole.

Molecular Properties

Compound Name5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole
PubChem CID123984516
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole
SMILESCC1(C)Cc2cn[nH]c2C2=NCCC21
InChIInChI=1S/C11H15N3/c1-11(2)5-7-6-13-14-9(7)10-8(11)3-4-12-10/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyFIFOZBULHFHKEK-UHFFFAOYSA-N
XLogP1.80
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine
CID 112714625
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
CID 144881790
(5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole
CID 163693771
4,5-dihydro-1H-thieno[2,3-g]indazole
CID 13452859
7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
CID 112715402
5,5-dimethyl-N-pyrrolidin-3-yl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609410
8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole
CID 15519356
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
CID 84717090
(3aS,4R,5S,7aS)-5-[(5R,6S)-6-(aminomethyl)-5-methyl-1,4,6,7-tetrahydroindazol-5-yl]-N,7a-dimethyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-amine
CID 175097357
6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 137240307
6,6-dimethyl-1,4,5,7-tetrahydroindazole;3-iodo-6,6-dimethyl-1,4,5,7-tetrahydroindazole
CID 162165555
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole?
The IUPAC name of 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole (CID 123984516) is 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole.
What is the SMILES notation for 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole?
The canonical SMILES for 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole is CC1(C)Cc2cn[nH]c2C2=NCCC21.
What is the InChIKey of 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole?
The InChIKey is FIFOZBULHFHKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-11(2)5-7-6-13-14-9(7)10-8(11)3-4-12-10/h6,8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole?
5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole has a molecular weight of 189.26 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4,5a,6,7-tetrahydro-1H-pyrrolo[3,2-g]indazole is sourced from PubChem (CID 123984516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).