3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole

C14H17N3 — CID 121365287

IUPAC3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole
SMILESCn1cc(-c2ccc3c(c2)C(C)(C)CN3)cn1
InChIInChI=1S/C14H17N3/c1-14(2)9-15-13-5-4-10(6-12(13)14)11-7-16-17(3)8-11/h4-8,15H,9H2,1-3H3
InChIKeyGPIXMQANIINTTQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.79
Rot. Bonds1

About 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole

3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole (PubChem CID 121365287) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole
PubChem CID121365287
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole
SMILESCn1cc(-c2ccc3c(c2)C(C)(C)CN3)cn1
InChIInChI=1S/C14H17N3/c1-14(2)9-15-13-5-4-10(6-12(13)14)11-7-16-17(3)8-11/h4-8,15H,9H2,1-3H3
InChIKeyGPIXMQANIINTTQ-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)-1H-indol-2-one
CID 155537652
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
CID 154002561
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-(1-methylpyrazol-4-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123423735
2-methoxy-5-(1-methylpyrazol-4-yl)benzenethiol
CID 174151969
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
4-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-quinoxaline
CID 130440415
3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157423852
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 58641815

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole?
The IUPAC name of 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole (CID 121365287) is 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole.
What is the SMILES notation for 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole?
The canonical SMILES for 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole is Cn1cc(-c2ccc3c(c2)C(C)(C)CN3)cn1.
What is the InChIKey of 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole?
The InChIKey is GPIXMQANIINTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-14(2)9-15-13-5-4-10(6-12(13)14)11-7-16-17(3)8-11/h4-8,15H,9H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole?
3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole has a molecular weight of 227.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole is sourced from PubChem (CID 121365287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).