2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine

C13H17N3 — CID 82039739

IUPAC2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCc1n[nH]c(C)c1-c1ccc(CCN)cc1
InChIInChI=1S/C13H17N3/c1-9-13(10(2)16-15-9)12-5-3-11(4-6-12)7-8-14/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyLQOAEPSFYLAYOJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine

2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 82039739) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID82039739
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCc1n[nH]c(C)c1-c1ccc(CCN)cc1
InChIInChI=1S/C13H17N3/c1-9-13(10(2)16-15-9)12-5-3-11(4-6-12)7-8-14/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyLQOAEPSFYLAYOJ-UHFFFAOYSA-N
XLogP2.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine (CID 82039739) is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine is Cc1n[nH]c(C)c1-c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is LQOAEPSFYLAYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-13(10(2)16-15-9)12-5-3-11(4-6-12)7-8-14/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine?
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 82039739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).