2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine

C15H18N4 — CID 82871680

IUPAC2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
SMILESCn1ccc(Cn2cc(CCN)c3ccccc32)n1
InChIInChI=1S/C15H18N4/c1-18-9-7-13(17-18)11-19-10-12(6-8-16)14-4-2-3-5-15(14)19/h2-5,7,9-10H,6,8,11,16H2,1H3
InChIKeyRFBSUYUNWIYXDH-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine

2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine (PubChem CID 82871680) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
PubChem CID82871680
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
SMILESCn1ccc(Cn2cc(CCN)c3ccccc32)n1
InChIInChI=1S/C15H18N4/c1-18-9-7-13(17-18)11-19-10-12(6-8-16)14-4-2-3-5-15(14)19/h2-5,7,9-10H,6,8,11,16H2,1H3
InChIKeyRFBSUYUNWIYXDH-UHFFFAOYSA-N
XLogP1.92
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487
1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
CID 82870619
2-[1-(3-methylsulfanylpropyl)indol-3-yl]ethanamine
CID 113474367
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515
2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
CID 112644320
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine (CID 82871680) is 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine is Cn1ccc(Cn2cc(CCN)c3ccccc32)n1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine?
The InChIKey is RFBSUYUNWIYXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-18-9-7-13(17-18)11-19-10-12(6-8-16)14-4-2-3-5-15(14)19/h2-5,7,9-10H,6,8,11,16H2,1H3.
What are the key properties of 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine?
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine has a molecular weight of 254.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine is sourced from PubChem (CID 82871680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).