2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol

C12H15N3O — CID 137013099

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
SMILESCCc1ccc(O)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C12H15N3O/c1-3-8-4-5-11(16)9(6-8)10-7-12(13)15(2)14-10/h4-7,16H,3,13H2,1-2H3
InChIKeyCCGVXZSCLBLAGW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.94
Rot. Bonds2

About 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol

2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol (PubChem CID 137013099) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
PubChem CID137013099
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
SMILESCCc1ccc(O)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C12H15N3O/c1-3-8-4-5-11(16)9(6-8)10-7-12(13)15(2)14-10/h4-7,16H,3,13H2,1-2H3
InChIKeyCCGVXZSCLBLAGW-UHFFFAOYSA-N
XLogP1.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1-methylpyrazol-3-yl)-6-bromo-4-ethylphenol
CID 137003447
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
CID 158793736
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
CID 117479831
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
CID 135673421
3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
CID 117315527
4-propyl-2-(1-propylpyrazol-3-yl)phenol
CID 155544730
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol (CID 137013099) is 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol is CCc1ccc(O)c(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol?
The InChIKey is CCGVXZSCLBLAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-8-4-5-11(16)9(6-8)10-7-12(13)15(2)14-10/h4-7,16H,3,13H2,1-2H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol?
2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol has a molecular weight of 217.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol is sourced from PubChem (CID 137013099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).