N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

C15H18N4 — CID 106209349

IUPACN-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCc1cn(C)c2ccccc12)c1cn[nH]c1
InChIInChI=1S/C15H18N4/c1-11(12-8-17-18-9-12)16-7-13-10-19(2)15-6-4-3-5-14(13)15/h3-6,8-11,16H,7H2,1-2H3,(H,17,18)
InChIKeyHBNIPGJXFMYWGO-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.75
Rot. Bonds4

About N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 106209349) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID106209349
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCc1cn(C)c2ccccc12)c1cn[nH]c1
InChIInChI=1S/C15H18N4/c1-11(12-8-17-18-9-12)16-7-13-10-19(2)15-6-4-3-5-14(13)15/h3-6,8-11,16H,7H2,1-2H3,(H,17,18)
InChIKeyHBNIPGJXFMYWGO-UHFFFAOYSA-N
XLogP2.75
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 113339139
N-[(2-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855026
1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235339
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]benzonitrile
CID 113339174
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103894057
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
N-[(2,5-difluorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854966
3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
CID 106187372
methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
CID 65067382
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854906

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (CID 106209349) is N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is CC(NCc1cn(C)c2ccccc12)c1cn[nH]c1.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is HBNIPGJXFMYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(12-8-17-18-9-12)16-7-13-10-19(2)15-6-4-3-5-14(13)15/h3-6,8-11,16H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 106209349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).