5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine

C13H17N3O — CID 115111516

IUPAC5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESCOC(C)(C)c1cccc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-13(2,17-3)10-6-4-5-9(7-10)11-8-12(14)16-15-11/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyNOVXGNKUCFXRNJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds3

About 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine

5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine (PubChem CID 115111516) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine
PubChem CID115111516
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESCOC(C)(C)c1cccc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-13(2,17-3)10-6-4-5-9(7-10)11-8-12(14)16-15-11/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyNOVXGNKUCFXRNJ-UHFFFAOYSA-N
XLogP2.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine (CID 115111516) is 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine is COC(C)(C)c1cccc(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is NOVXGNKUCFXRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,17-3)10-6-4-5-9(7-10)11-8-12(14)16-15-11/h4-8H,1-3H3,(H3,14,15,16).
What are the key properties of 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine?
5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxypropan-2-yl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115111516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).