1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile

C16H16N4 — CID 107920403

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile
SMILESCCn1nc(C)cc1Cn1ccc2cc(C#N)ccc21
InChIInChI=1S/C16H16N4/c1-3-20-15(8-12(2)18-20)11-19-7-6-14-9-13(10-17)4-5-16(14)19/h4-9H,3,11H2,1-2H3
InChIKeyAHLQOSXYELNSQC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.09
Rot. Bonds3

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile (PubChem CID 107920403) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile
PubChem CID107920403
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile
SMILESCCn1nc(C)cc1Cn1ccc2cc(C#N)ccc21
InChIInChI=1S/C16H16N4/c1-3-20-15(8-12(2)18-20)11-19-7-6-14-9-13(10-17)4-5-16(14)19/h4-9H,3,11H2,1-2H3
InChIKeyAHLQOSXYELNSQC-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
CID 107920157
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile
CID 107919679
3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
CID 107663258
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
CID 107920256
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
CID 114268853
1-[(3-amino-5-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919689
1-[(4-amino-3-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919677
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920285
1-(2-methylsulfonylethyl)indole-5-carbonitrile
CID 114015955

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile (CID 107920403) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile is CCn1nc(C)cc1Cn1ccc2cc(C#N)ccc21.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile?
The InChIKey is AHLQOSXYELNSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-20-15(8-12(2)18-20)11-19-7-6-14-9-13(10-17)4-5-16(14)19/h4-9H,3,11H2,1-2H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile is sourced from PubChem (CID 107920403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).