3-(3,5-dimethylpyrazol-1-yl)-1H-indole

C13H13N3 — CID 3573300

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1H-indole
SMILESCc1cc(C)n(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H13N3/c1-9-7-10(2)16(15-9)13-8-14-12-6-4-3-5-11(12)13/h3-8,14H,1-2H3
InChIKeyNVXPGHMOZNRUNB-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.97
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-1H-indole

3-(3,5-dimethylpyrazol-1-yl)-1H-indole (PubChem CID 3573300) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1H-indole.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1H-indole
PubChem CID3573300
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1H-indole
SMILESCc1cc(C)n(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H13N3/c1-9-7-10(2)16(15-9)13-8-14-12-6-4-3-5-11(12)13/h3-8,14H,1-2H3
InChIKeyNVXPGHMOZNRUNB-UHFFFAOYSA-N
XLogP2.97
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
4-(3,5-dimethylpyrazol-1-yl)cinnoline
CID 63810532
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 3821483
3-(3-phenylpyrazol-1-yl)-1H-indole
CID 177256581
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(1H-indol-3-yl)-2-phenylethanone
CID 24600065
3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole
CID 15069632
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 78836013

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1H-indole?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1H-indole (CID 3573300) is 3-(3,5-dimethylpyrazol-1-yl)-1H-indole.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1H-indole?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1H-indole is Cc1cc(C)n(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1H-indole?
The InChIKey is NVXPGHMOZNRUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9-7-10(2)16(15-9)13-8-14-12-6-4-3-5-11(12)13/h3-8,14H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1H-indole?
3-(3,5-dimethylpyrazol-1-yl)-1H-indole has a molecular weight of 211.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1H-indole is sourced from PubChem (CID 3573300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).