1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine

C14H16N4 — CID 62138265

IUPAC1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine
SMILESCc1cc2ccccc2n1CCn1cc(N)cn1
InChIInChI=1S/C14H16N4/c1-11-8-12-4-2-3-5-14(12)18(11)7-6-17-10-13(15)9-16-17/h2-5,8-10H,6-7,15H2,1H3
InChIKeyBVTDCIHUWZPMSA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine

1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine (PubChem CID 62138265) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine
PubChem CID62138265
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine
SMILESCc1cc2ccccc2n1CCn1cc(N)cn1
InChIInChI=1S/C14H16N4/c1-11-8-12-4-2-3-5-14(12)18(11)7-6-17-10-13(15)9-16-17/h2-5,8-10H,6-7,15H2,1H3
InChIKeyBVTDCIHUWZPMSA-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine (CID 62138265) is 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine is Cc1cc2ccccc2n1CCn1cc(N)cn1.
What is the InChIKey of 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is BVTDCIHUWZPMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11-8-12-4-2-3-5-14(12)18(11)7-6-17-10-13(15)9-16-17/h2-5,8-10H,6-7,15H2,1H3.
What are the key properties of 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine?
1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).