4-methyl-1-propan-2-ylindazole

C11H14N2 — CID 139297350

IUPAC4-methyl-1-propan-2-ylindazole
SMILESCc1cccc2c1cnn2C(C)C
InChIInChI=1S/C11H14N2/c1-8(2)13-11-6-4-5-9(3)10(11)7-12-13/h4-8H,1-3H3
InChIKeyBMMOBJONWWVZHB-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.93
Rot. Bonds1

About 4-methyl-1-propan-2-ylindazole

4-methyl-1-propan-2-ylindazole (PubChem CID 139297350) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylindazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylindazole
PubChem CID139297350
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-methyl-1-propan-2-ylindazole
SMILESCc1cccc2c1cnn2C(C)C
InChIInChI=1S/C11H14N2/c1-8(2)13-11-6-4-5-9(3)10(11)7-12-13/h4-8H,1-3H3
InChIKeyBMMOBJONWWVZHB-UHFFFAOYSA-N
XLogP2.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-propan-2-ylindazole
CID 84727907
2-(1-propan-2-ylindazol-4-yl)propanoic acid
CID 84726671
(4-methylindazol-1-yl)phosphane
CID 134575282
1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one
CID 137277698
(2-bromo-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 107985415
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
CID 114646764
3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine
CID 44531794
1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole
CID 168918626
1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine
CID 168988256
1,4-dimethylindazole;2,8-dimethyl-7-thia-8-azabicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 164918721
4-bromo-5-[1-(2-methylphenyl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114435847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylindazole?
The IUPAC name of 4-methyl-1-propan-2-ylindazole (CID 139297350) is 4-methyl-1-propan-2-ylindazole.
What is the SMILES notation for 4-methyl-1-propan-2-ylindazole?
The canonical SMILES for 4-methyl-1-propan-2-ylindazole is Cc1cccc2c1cnn2C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-ylindazole?
The InChIKey is BMMOBJONWWVZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)13-11-6-4-5-9(3)10(11)7-12-13/h4-8H,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylindazole?
4-methyl-1-propan-2-ylindazole has a molecular weight of 174.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylindazole is sourced from PubChem (CID 139297350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).