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

C12H13N3 — CID 116698328

IUPAC4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCn1cc(-c2cccc3c2CCN3)cn1
InChIInChI=1S/C12H13N3/c1-15-8-9(7-14-15)10-3-2-4-12-11(10)5-6-13-12/h2-4,7-8,13H,5-6H2,1H3
InChIKeyGANGMGWBNIPLIF-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.06
Rot. Bonds1

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

4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 116698328) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID116698328
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCn1cc(-c2cccc3c2CCN3)cn1
InChIInChI=1S/C12H13N3/c1-15-8-9(7-14-15)10-3-2-4-12-11(10)5-6-13-12/h2-4,7-8,13H,5-6H2,1H3
InChIKeyGANGMGWBNIPLIF-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyltriazol-4-yl)-2,3-dihydro-1H-indole
CID 114689526
4-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-indole
CID 116698343
tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane
CID 131748096
5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 121365355
3-(2,3-dihydro-1H-indol-4-yl)quinoline
CID 116698310
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
2-methylidene-6-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073000
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole
CID 114689574
4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
CID 116698397
5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 169122125
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole (CID 116698328) is 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole is Cn1cc(-c2cccc3c2CCN3)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is GANGMGWBNIPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-15-8-9(7-14-15)10-3-2-4-12-11(10)5-6-13-12/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 199.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).