1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C14H16N4 — CID 19626513

IUPAC1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C14H16N4/c1-18-10-11(7-17-18)6-15-8-12-9-16-14-5-3-2-4-13(12)14/h2-5,7,9-10,15-16H,6,8H2,1H3
InChIKeyZPHBWUSBXGMKNN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.19
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 19626513) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID19626513
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C14H16N4/c1-18-10-11(7-17-18)6-15-8-12-9-16-14-5-3-2-4-13(12)14/h2-5,7,9-10,15-16H,6,8H2,1H3
InChIKeyZPHBWUSBXGMKNN-UHFFFAOYSA-N
XLogP2.19
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 62823191
2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 119128941
N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 70211742
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 47381471
methyl (2R)-3-(1H-indol-3-yl)-2-[3-(1-methylpyrazol-4-yl)propanoylamino]propanoate
CID 55941161
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 19626513) is 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ZPHBWUSBXGMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-10-11(7-17-18)6-15-8-12-9-16-14-5-3-2-4-13(12)14/h2-5,7,9-10,15-16H,6,8H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 19626513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).