1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile

C16H16N4 — CID 107920157

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
SMILESCCc1cc(Cn2ccc3cc(C#N)ccc32)n(C)n1
InChIInChI=1S/C16H16N4/c1-3-14-9-15(19(2)18-14)11-20-7-6-13-8-12(10-17)4-5-16(13)20/h4-9H,3,11H2,1-2H3
InChIKeyKXLBSOFUVKVGSP-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.86
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile (PubChem CID 107920157) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
PubChem CID107920157
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
SMILESCCc1cc(Cn2ccc3cc(C#N)ccc32)n(C)n1
InChIInChI=1S/C16H16N4/c1-3-14-9-15(19(2)18-14)11-20-7-6-13-8-12(10-17)4-5-16(13)20/h4-9H,3,11H2,1-2H3
InChIKeyKXLBSOFUVKVGSP-UHFFFAOYSA-N
XLogP2.86
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile
CID 107920403
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
CID 107920256
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742
7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
CID 103475099
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-(2-methylsulfonylethyl)indole-5-carbonitrile
CID 114015955
1-(3-hydroxy-3-methylbutyl)indole-5-carbonitrile
CID 114015947
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402333
1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
CID 114268853

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile (CID 107920157) is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile is CCc1cc(Cn2ccc3cc(C#N)ccc32)n(C)n1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile?
The InChIKey is KXLBSOFUVKVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-14-9-15(19(2)18-14)11-20-7-6-13-8-12(10-17)4-5-16(13)20/h4-9H,3,11H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile?
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile is sourced from PubChem (CID 107920157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).