1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine

C14H16N4 — CID 103002340

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine
SMILESCn1cc(CCn2ccc3ccc(N)cc32)cn1
InChIInChI=1S/C14H16N4/c1-17-10-11(9-16-17)4-6-18-7-5-12-2-3-13(15)8-14(12)18/h2-3,5,7-10H,4,6,15H2,1H3
InChIKeyJFTJZRUISMBJGU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine

1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine (PubChem CID 103002340) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine
PubChem CID103002340
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine
SMILESCn1cc(CCn2ccc3ccc(N)cc32)cn1
InChIInChI=1S/C14H16N4/c1-17-10-11(9-16-17)4-6-18-7-5-12-2-3-13(15)8-14(12)18/h2-3,5,7-10H,4,6,15H2,1H3
InChIKeyJFTJZRUISMBJGU-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazol-2-one
CID 103002356
5-amino-2-[2-(1-methylpyrazol-4-yl)ethyl]isoindole-1,3-dione
CID 80689338
1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid
CID 63747713
1-[(1-methylpyrazol-4-yl)methyl]-6-nitroindole
CID 116620956
[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-7-yl]methanamine
CID 103005659
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboximidamide
CID 107917531
1-(3-methoxypropyl)indol-6-amine
CID 58005499
1-[(1-methylpyrazol-4-yl)methyl]indole
CID 55238822
1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409
1-but-3-enylindol-6-amine
CID 165471845
1-(methoxymethyl)indol-6-amine
CID 65365107
4-[2-(1-methylpyrazol-4-yl)ethylsulfonyl]aniline
CID 103013722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine (CID 103002340) is 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine is Cn1cc(CCn2ccc3ccc(N)cc32)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine?
The InChIKey is JFTJZRUISMBJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17-10-11(9-16-17)4-6-18-7-5-12-2-3-13(15)8-14(12)18/h2-3,5,7-10H,4,6,15H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine?
1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine has a molecular weight of 240.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]indol-6-amine is sourced from PubChem (CID 103002340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).