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

C14H12N4 — CID 107919071

IUPAC1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
SMILESCn1ccc(Cn2ccc3c(C#N)cccc32)n1
InChIInChI=1S/C14H12N4/c1-17-7-5-12(16-17)10-18-8-6-13-11(9-15)3-2-4-14(13)18/h2-8H,10H2,1H3
InChIKeyGGZKMRQHLVMGNC-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.29
Rot. Bonds2

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

1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile (PubChem CID 107919071) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
PubChem CID107919071
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
SMILESCn1ccc(Cn2ccc3c(C#N)cccc32)n1
InChIInChI=1S/C14H12N4/c1-17-7-5-12(16-17)10-18-8-6-13-11(9-15)3-2-4-14(13)18/h2-8H,10H2,1H3
InChIKeyGGZKMRQHLVMGNC-UHFFFAOYSA-N
XLogP2.29
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile
CID 114015841
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919149
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbothioamide
CID 107919313
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]indole-4-carbonitrile
CID 114015832
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919198
1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
CID 82870619
1-but-2-ynylindole-4-carbonitrile
CID 107919088
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
CID 82870272
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile (CID 107919071) is 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile is Cn1ccc(Cn2ccc3c(C#N)cccc32)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile?
The InChIKey is GGZKMRQHLVMGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-17-7-5-12(16-17)10-18-8-6-13-11(9-15)3-2-4-14(13)18/h2-8H,10H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile?
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile is sourced from PubChem (CID 107919071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).