N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine

C13H17N3 — CID 62769889

IUPACN,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
SMILESCN(C)CCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C13H17N3/c1-15(2)8-9-16-11-13(10-14-16)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOWIGGWUAXREQLE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.11
Rot. Bonds4

About N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine

N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine (PubChem CID 62769889) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
PubChem CID62769889
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
SMILESCN(C)CCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C13H17N3/c1-15(2)8-9-16-11-13(10-14-16)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOWIGGWUAXREQLE-UHFFFAOYSA-N
XLogP2.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine (CID 62769889) is N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine is CN(C)CCn1cc(-c2ccccc2)cn1.
What is the InChIKey of N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The InChIKey is OWIGGWUAXREQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-15(2)8-9-16-11-13(10-14-16)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 62769889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).