1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine

C14H16N4 — CID 77087606

IUPAC1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccn[nH]1)Cc1cccc2[nH]ccc12
InChIInChI=1S/C14H16N4/c1-18(10-12-5-8-16-17-12)9-11-3-2-4-14-13(11)6-7-15-14/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyDEXALBJUMTZQLF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.52
Rot. Bonds4

About 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 77087606) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID77087606
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccn[nH]1)Cc1cccc2[nH]ccc12
InChIInChI=1S/C14H16N4/c1-18(10-12-5-8-16-17-12)9-11-3-2-4-14-13(11)6-7-15-14/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyDEXALBJUMTZQLF-UHFFFAOYSA-N
XLogP2.52
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 77087606) is 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine is CN(Cc1ccn[nH]1)Cc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is DEXALBJUMTZQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18(10-12-5-8-16-17-12)9-11-3-2-4-14-13(11)6-7-15-14/h2-8,15H,9-10H2,1H3,(H,16,17).
What are the key properties of 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 77087606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).