6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole

C13H15N3 — CID 116698588

IUPAC6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCc1nn(C)cc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C13H15N3/c1-9-12(8-16(2)15-9)11-4-3-10-5-6-14-13(10)7-11/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUZHZPYSHHVVQCW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.36
Rot. Bonds1

About 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole

6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 116698588) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID116698588
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCc1nn(C)cc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C13H15N3/c1-9-12(8-16(2)15-9)11-4-3-10-5-6-14-13(10)7-11/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUZHZPYSHHVVQCW-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698590
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781757
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427
6-(3-methyl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
CID 82512309
6-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 116698446
6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole
CID 114689642
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
8-(2,3-dihydro-1H-indol-6-yl)quinoline
CID 116698503
6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698516
6-(4-fluoronaphthalen-1-yl)-2,3-dihydro-1H-indole
CID 116698579
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
CID 116698435

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole (CID 116698588) is 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole is Cc1nn(C)cc1-c1ccc2c(c1)NCC2.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is UZHZPYSHHVVQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-12(8-16(2)15-9)11-4-3-10-5-6-14-13(10)7-11/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole?
6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 213.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).