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

C16H15N5 — CID 110453762

IUPAC3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole
SMILESCn1cc(C(c2c[nH]c3ccccc23)n2ccnc2)cn1
InChIInChI=1S/C16H15N5/c1-20-10-12(8-19-20)16(21-7-6-17-11-21)14-9-18-15-5-3-2-4-13(14)15/h2-11,16,18H,1H3
InChIKeyPWXHCCWCLFSNIM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.74
Rot. Bonds3

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

3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole (PubChem CID 110453762) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole
PubChem CID110453762
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole
SMILESCn1cc(C(c2c[nH]c3ccccc23)n2ccnc2)cn1
InChIInChI=1S/C16H15N5/c1-20-10-12(8-19-20)16(21-7-6-17-11-21)14-9-18-15-5-3-2-4-13(14)15/h2-11,16,18H,1H3
InChIKeyPWXHCCWCLFSNIM-UHFFFAOYSA-N
XLogP2.74
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1H-indol-3-yl-(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 110453184
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine
CID 112742614
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
3-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]benzene-1,2-diol
CID 110453827
4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile
CID 44577913
3-propan-2-yl-1H-indole
CID 12534824
5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol
CID 110453834
5-fluoro-3-[imidazol-1-yl-(3-nitrophenyl)methyl]-1H-indole
CID 110453833
1-benzhydrylimidazole;hydrobromide
CID 174865219
3-[chloro(methoxy)methyl]-1H-indole
CID 67187607
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230

Frequently Asked Questions

What is the IUPAC name of 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole?
The IUPAC name of 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole (CID 110453762) is 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole?
The canonical SMILES for 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole is Cn1cc(C(c2c[nH]c3ccccc23)n2ccnc2)cn1.
What is the InChIKey of 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole?
The InChIKey is PWXHCCWCLFSNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-20-10-12(8-19-20)16(21-7-6-17-11-21)14-9-18-15-5-3-2-4-13(14)15/h2-11,16,18H,1H3.
What are the key properties of 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole?
3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole has a molecular weight of 277.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole is sourced from PubChem (CID 110453762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).