N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine

C15H18N4 — CID 54881289

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(NCCc1c[nH]c2ccccc12)c1ccn[nH]1
InChIInChI=1S/C15H18N4/c1-11(14-7-9-18-19-14)16-8-6-12-10-17-15-5-3-2-4-13(12)15/h2-5,7,9-11,16-17H,6,8H2,1H3,(H,18,19)
InChIKeyFHQQJPODVLNQAP-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine

N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 54881289) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID54881289
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(NCCc1c[nH]c2ccccc12)c1ccn[nH]1
InChIInChI=1S/C15H18N4/c1-11(14-7-9-18-19-14)16-8-6-12-10-17-15-5-3-2-4-13(12)15/h2-5,7,9-11,16-17H,6,8H2,1H3,(H,18,19)
InChIKeyFHQQJPODVLNQAP-UHFFFAOYSA-N
XLogP2.78
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
CID 97181242
2-[2-(1H-indol-3-yl)ethylamino]-4-methylpentanenitrile
CID 112511537
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 137052768
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (CID 54881289) is N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is CC(NCCc1c[nH]c2ccccc12)c1ccn[nH]1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is FHQQJPODVLNQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(14-7-9-18-19-14)16-8-6-12-10-17-15-5-3-2-4-13(12)15/h2-5,7,9-11,16-17H,6,8H2,1H3,(H,18,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 54881289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).