1-[(1-methylpyrazol-4-yl)methyl]indole

C13H13N3 — CID 55238822

IUPAC1-[(1-methylpyrazol-4-yl)methyl]indole
SMILESCn1cc(Cn2ccc3ccccc32)cn1
InChIInChI=1S/C13H13N3/c1-15-9-11(8-14-15)10-16-7-6-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3
InChIKeyYBZDMJSHYYDGAZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.42
Rot. Bonds2

About 1-[(1-methylpyrazol-4-yl)methyl]indole

1-[(1-methylpyrazol-4-yl)methyl]indole (PubChem CID 55238822) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]indole.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]indole
PubChem CID55238822
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]indole
SMILESCn1cc(Cn2ccc3ccccc32)cn1
InChIInChI=1S/C13H13N3/c1-15-9-11(8-14-15)10-16-7-6-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3
InChIKeyYBZDMJSHYYDGAZ-UHFFFAOYSA-N
XLogP2.42
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid
CID 63747713
1-[(1-methylpyrazol-4-yl)methyl]-6-nitroindole
CID 116620956
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboximidamide
CID 107917531
5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70922430
1-[(1-methylpyridin-1-ium-4-yl)methyl]indole
CID 71418458
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111341128
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine
CID 103002340
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
CID 62125660

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]indole?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]indole (CID 55238822) is 1-[(1-methylpyrazol-4-yl)methyl]indole.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]indole?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]indole is Cn1cc(Cn2ccc3ccccc32)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]indole?
The InChIKey is YBZDMJSHYYDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-15-9-11(8-14-15)10-16-7-6-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]indole?
1-[(1-methylpyrazol-4-yl)methyl]indole has a molecular weight of 211.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]indole is sourced from PubChem (CID 55238822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).