1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine

C14H20N4 — CID 62137706

IUPAC1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine
SMILESCc1cc(C)cc(N(C)CCn2cc(N)cn2)c1
InChIInChI=1S/C14H20N4/c1-11-6-12(2)8-14(7-11)17(3)4-5-18-10-13(15)9-16-18/h6-10H,4-5,15H2,1-3H3
InChIKeyIZATUDKMOWNDFS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine

1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine (PubChem CID 62137706) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine
PubChem CID62137706
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine
SMILESCc1cc(C)cc(N(C)CCn2cc(N)cn2)c1
InChIInChI=1S/C14H20N4/c1-11-6-12(2)8-14(7-11)17(3)4-5-18-10-13(15)9-16-18/h6-10H,4-5,15H2,1-3H3
InChIKeyIZATUDKMOWNDFS-UHFFFAOYSA-N
XLogP2.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine (CID 62137706) is 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine is Cc1cc(C)cc(N(C)CCn2cc(N)cn2)c1.
What is the InChIKey of 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine?
The InChIKey is IZATUDKMOWNDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-6-12(2)8-14(7-11)17(3)4-5-18-10-13(15)9-16-18/h6-10H,4-5,15H2,1-3H3.
What are the key properties of 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine?
1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine has a molecular weight of 244.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62137706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).