[4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine

C14H16N4 — CID 82387853

IUPAC[4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine
SMILESCn1c(Cc2cn[nH]c2CN)cc2ccccc21
InChIInChI=1S/C14H16N4/c1-18-12(6-10-4-2-3-5-14(10)18)7-11-9-16-17-13(11)8-15/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyMLYGCIUIXOMXCE-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.95
Rot. Bonds3

About [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine

[4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine (PubChem CID 82387853) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine
PubChem CID82387853
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name[4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine
SMILESCn1c(Cc2cn[nH]c2CN)cc2ccccc21
InChIInChI=1S/C14H16N4/c1-18-12(6-10-4-2-3-5-14(10)18)7-11-9-16-17-13(11)8-15/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyMLYGCIUIXOMXCE-UHFFFAOYSA-N
XLogP1.95
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine (CID 82387853) is [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine is Cn1c(Cc2cn[nH]c2CN)cc2ccccc21.
What is the InChIKey of [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine?
The InChIKey is MLYGCIUIXOMXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-12(6-10-4-2-3-5-14(10)18)7-11-9-16-17-13(11)8-15/h2-6,9H,7-8,15H2,1H3,(H,16,17).
What are the key properties of [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine?
[4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82387853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).