4-[4-(2-aminoethyl)pyrazol-1-yl]phenol

C11H13N3O — CID 83881516

IUPAC4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
SMILESNCCc1cnn(-c2ccc(O)cc2)c1
InChIInChI=1S/C11H13N3O/c12-6-5-9-7-13-14(8-9)10-1-3-11(15)4-2-10/h1-4,7-8,15H,5-6,12H2
InChIKeyJRKDLIIJYLDGEC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.08
Rot. Bonds3

About 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol

4-[4-(2-aminoethyl)pyrazol-1-yl]phenol (PubChem CID 83881516) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
PubChem CID83881516
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
SMILESNCCc1cnn(-c2ccc(O)cc2)c1
InChIInChI=1S/C11H13N3O/c12-6-5-9-7-13-14(8-9)10-1-3-11(15)4-2-10/h1-4,7-8,15H,5-6,12H2
InChIKeyJRKDLIIJYLDGEC-UHFFFAOYSA-N
XLogP1.08
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171
1-(4-hydroxyphenyl)pyrazol-4-ol
CID 117124802
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
CID 82307239
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
(1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 20983373
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149
2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
4-(4-ethoxypyrazol-1-yl)phenol
CID 117229696

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol (CID 83881516) is 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol is NCCc1cnn(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol?
The InChIKey is JRKDLIIJYLDGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-6-5-9-7-13-14(8-9)10-1-3-11(15)4-2-10/h1-4,7-8,15H,5-6,12H2.
What are the key properties of 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol?
4-[4-(2-aminoethyl)pyrazol-1-yl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 83881516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).