4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole

C14H15N3 — CID 116620312

IUPAC4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
SMILESCc1cccc2c1ccn2Cc1ccn(C)n1
InChIInChI=1S/C14H15N3/c1-11-4-3-5-14-13(11)7-9-17(14)10-12-6-8-16(2)15-12/h3-9H,10H2,1-2H3
InChIKeyLYDOFNVLCLLTLT-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.73
Rot. Bonds2

About 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole (PubChem CID 116620312) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
PubChem CID116620312
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
SMILESCc1cccc2c1ccn2Cc1ccn(C)n1
InChIInChI=1S/C14H15N3/c1-11-4-3-5-14-13(11)7-9-17(14)10-12-6-8-16(2)15-12/h3-9H,10H2,1-2H3
InChIKeyLYDOFNVLCLLTLT-UHFFFAOYSA-N
XLogP2.73
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
CID 107919071
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbothioamide
CID 107919313
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406
1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
CID 82870619
N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
CID 82870272
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620154
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620304
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole
CID 141068860

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole?
The IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole (CID 116620312) is 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole.
What is the SMILES notation for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole?
The canonical SMILES for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole is Cc1cccc2c1ccn2Cc1ccn(C)n1.
What is the InChIKey of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole?
The InChIKey is LYDOFNVLCLLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-11-4-3-5-14-13(11)7-9-17(14)10-12-6-8-16(2)15-12/h3-9H,10H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole?
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole has a molecular weight of 225.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole is sourced from PubChem (CID 116620312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).