N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline

C15H21N3 — CID 65192459

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(C)c2cn(C)nc2C)c1
InChIInChI=1S/C15H21N3/c1-10-6-11(2)8-14(7-10)16-12(3)15-9-18(5)17-13(15)4/h6-9,12,16H,1-5H3
InChIKeyJSJYINMSKGIXQK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.52
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline (PubChem CID 65192459) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
PubChem CID65192459
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(C)c2cn(C)nc2C)c1
InChIInChI=1S/C15H21N3/c1-10-6-11(2)8-14(7-10)16-12(3)15-9-18(5)17-13(15)4/h6-9,12,16H,1-5H3
InChIKeyJSJYINMSKGIXQK-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline (CID 65192459) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline is Cc1cc(C)cc(NC(C)c2cn(C)nc2C)c1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline?
The InChIKey is JSJYINMSKGIXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-11(2)8-14(7-10)16-12(3)15-9-18(5)17-13(15)4/h6-9,12,16H,1-5H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline is sourced from PubChem (CID 65192459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).