1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole

C13H17N3 — CID 134999475

IUPAC1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole
SMILESCn1cccc1-c1nn(C)c2c1CCCC2
InChIInChI=1S/C13H17N3/c1-15-9-5-8-12(15)13-10-6-3-4-7-11(10)16(2)14-13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyAMUAOVWHGNEJMK-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.30
Rot. Bonds1

About 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole

1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole (PubChem CID 134999475) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole
PubChem CID134999475
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole
SMILESCn1cccc1-c1nn(C)c2c1CCCC2
InChIInChI=1S/C13H17N3/c1-15-9-5-8-12(15)13-10-6-3-4-7-11(10)16(2)14-13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyAMUAOVWHGNEJMK-UHFFFAOYSA-N
XLogP2.30
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole
CID 130205818
3-iodo-1-methyl-4,5,6,7-tetrahydroindazole
CID 71280279
3-(1-methylpyrrol-2-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 139021513
1-methyl-3-[(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methyl]pyridin-2-one
CID 154571543
3-ethyl-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 123686375
1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 12031296
2-methyl-3-phenyl-4,5,6,7,8,9-hexahydrocycloocta[c]pyrazole
CID 146491613
(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 154565918
2-methyl-3-(1-methylpyrrol-2-yl)quinoxaline
CID 70254526
1-methyl-4-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)pyridin-2-one
CID 155918911
1-methyl-3-phenyl-6-[2-(1,2,4-triazol-4-yl)ethyl]-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine
CID 154566613
1-ethyl-3-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 121214529

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole (CID 134999475) is 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole is Cn1cccc1-c1nn(C)c2c1CCCC2.
What is the InChIKey of 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole?
The InChIKey is AMUAOVWHGNEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-15-9-5-8-12(15)13-10-6-3-4-7-11(10)16(2)14-13/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole?
1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole has a molecular weight of 215.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 134999475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).