1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine

C14H16N4 — CID 62125660

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
SMILESCCn1cc(Cn2ccc3cc(N)ccc32)cn1
InChIInChI=1S/C14H16N4/c1-2-18-10-11(8-16-18)9-17-6-5-12-7-13(15)3-4-14(12)17/h3-8,10H,2,9,15H2,1H3
InChIKeyMWGBEIFWQKEBJX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.49
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine

1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine (PubChem CID 62125660) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
PubChem CID62125660
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
SMILESCCn1cc(Cn2ccc3cc(N)ccc32)cn1
InChIInChI=1S/C14H16N4/c1-2-18-10-11(8-16-18)9-17-6-5-12-7-13(15)3-4-14(12)17/h3-8,10H,2,9,15H2,1H3
InChIKeyMWGBEIFWQKEBJX-UHFFFAOYSA-N
XLogP2.49
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]indole-5-carbothioamide
CID 107920654
1-[(3-iodophenyl)methyl]indol-5-amine
CID 156881409
1-[(1-methylpyrazol-4-yl)methyl]indole
CID 55238822
1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910123
4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881946
1-[(1-ethylpyrazol-4-yl)methyl]-7-nitroindole
CID 114936188
1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604735
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
2-(5-aminoindol-1-yl)ethanol
CID 43165354
5-[(5-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
CID 107880796
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine (CID 62125660) is 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine is CCn1cc(Cn2ccc3cc(N)ccc32)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine?
The InChIKey is MWGBEIFWQKEBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-18-10-11(8-16-18)9-17-6-5-12-7-13(15)3-4-14(12)17/h3-8,10H,2,9,15H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine?
1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine has a molecular weight of 240.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine is sourced from PubChem (CID 62125660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).