3,4-dimethyl-5-propan-2-yl-2H-indazole

C12H16N2 — CID 142484038

IUPAC3,4-dimethyl-5-propan-2-yl-2H-indazole
SMILESCc1[nH]nc2ccc(C(C)C)c(C)c12
InChIInChI=1S/C12H16N2/c1-7(2)10-5-6-11-12(8(10)3)9(4)13-14-11/h5-7H,1-4H3,(H,13,14)
InChIKeyHSZNUNIHHKFSGP-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.30
Rot. Bonds1

About 3,4-dimethyl-5-propan-2-yl-2H-indazole

3,4-dimethyl-5-propan-2-yl-2H-indazole (PubChem CID 142484038) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-2H-indazole
PubChem CID142484038
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3,4-dimethyl-5-propan-2-yl-2H-indazole
SMILESCc1[nH]nc2ccc(C(C)C)c(C)c12
InChIInChI=1S/C12H16N2/c1-7(2)10-5-6-11-12(8(10)3)9(4)13-14-11/h5-7H,1-4H3,(H,13,14)
InChIKeyHSZNUNIHHKFSGP-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-3-methyl-2-methylsulfanyl-4-propan-2-ylbenzene
CID 167114166
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333
(1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 165375977
3-(difluoromethyl)-4,5-dimethyl-2H-indazole
CID 168819075
5-fluoro-3-methyl-2H-indazole-4-carboxylic acid
CID 117109516
3-methyl-4-(trifluoromethyl)-2H-indazole
CID 70840993
(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine
CID 117109608
1,8-dimethyl-2-propan-2-ylnaphthalene
CID 174870278
N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide
CID 169168502
3-propan-2-yl-2H-indazol-4-ol
CID 136743902
3-methyl-N-[(1S)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;sulfane
CID 157296879
6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
CID 176567059

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-2H-indazole?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-2H-indazole (CID 142484038) is 3,4-dimethyl-5-propan-2-yl-2H-indazole.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-2H-indazole?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-2H-indazole is Cc1[nH]nc2ccc(C(C)C)c(C)c12.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-2H-indazole?
The InChIKey is HSZNUNIHHKFSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7(2)10-5-6-11-12(8(10)3)9(4)13-14-11/h5-7H,1-4H3,(H,13,14).
What are the key properties of 3,4-dimethyl-5-propan-2-yl-2H-indazole?
3,4-dimethyl-5-propan-2-yl-2H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-2H-indazole is sourced from PubChem (CID 142484038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).