5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole

C12H12ClN3 — CID 121365355

IUPAC5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCn1cc(-c2cc3c(cc2Cl)CCN3)cn1
InChIInChI=1S/C12H12ClN3/c1-16-7-9(6-15-16)10-5-12-8(2-3-14-12)4-11(10)13/h4-7,14H,2-3H2,1H3
InChIKeyJRNOUTNHVHUMKL-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.71
Rot. Bonds1

About 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole

5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 121365355) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID121365355
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCn1cc(-c2cc3c(cc2Cl)CCN3)cn1
InChIInChI=1S/C12H12ClN3/c1-16-7-9(6-15-16)10-5-12-8(2-3-14-12)4-11(10)13/h4-7,14H,2-3H2,1H3
InChIKeyJRNOUTNHVHUMKL-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole
CID 144831547
1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole
CID 10821415
6-chloro-5-methyl-2,3-dihydro-1H-indole
CID 22186080
6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one
CID 142510634
6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698590
6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698588
5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole
CID 70121154
4-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpyrazole
CID 82240877
tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane
CID 131748096
6-chloro-2,3-dihydro-1H-indol-5-amine
CID 82413004
7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 121278303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole (CID 121365355) is 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole is Cn1cc(-c2cc3c(cc2Cl)CCN3)cn1.
What is the InChIKey of 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is JRNOUTNHVHUMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-16-7-9(6-15-16)10-5-12-8(2-3-14-12)4-11(10)13/h4-7,14H,2-3H2,1H3.
What are the key properties of 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 233.70 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 121365355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).