2-amino-4-(4-methylpyrazol-1-yl)phenol

C10H11N3O — CID 84662036

IUPAC2-amino-4-(4-methylpyrazol-1-yl)phenol
SMILESCc1cnn(-c2ccc(O)c(N)c2)c1
InChIInChI=1S/C10H11N3O/c1-7-5-12-13(6-7)8-2-3-10(14)9(11)4-8/h2-6,14H,11H2,1H3
InChIKeyIPBAREYBHVSYBR-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.47
Rot. Bonds1

About 2-amino-4-(4-methylpyrazol-1-yl)phenol

2-amino-4-(4-methylpyrazol-1-yl)phenol (PubChem CID 84662036) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-4-(4-methylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(4-methylpyrazol-1-yl)phenol
PubChem CID84662036
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-4-(4-methylpyrazol-1-yl)phenol
SMILESCc1cnn(-c2ccc(O)c(N)c2)c1
InChIInChI=1S/C10H11N3O/c1-7-5-12-13(6-7)8-2-3-10(14)9(11)4-8/h2-6,14H,11H2,1H3
InChIKeyIPBAREYBHVSYBR-UHFFFAOYSA-N
XLogP1.47
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-4-methylpyrazole
CID 148851288
4-amino-3-(4-methylpyrazol-1-yl)phenol
CID 84662020
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054
4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol
CID 137250300
2-amino-5-(4-bromopyrazol-1-yl)phenol
CID 178025198
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 78937565
[3-(4-methylpyrazol-1-yl)phenyl]boronic acid
CID 86208031
1-[3-(4-methylpyrazol-1-yl)phenyl]ethanol
CID 117290920
[4-(4-methylpyrazol-1-yl)phenyl]thiourea
CID 169358177
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
3-fluoro-5-(4-methylpyrazol-1-yl)aniline
CID 80751942

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpyrazol-1-yl)phenol?
The IUPAC name of 2-amino-4-(4-methylpyrazol-1-yl)phenol (CID 84662036) is 2-amino-4-(4-methylpyrazol-1-yl)phenol.
What is the SMILES notation for 2-amino-4-(4-methylpyrazol-1-yl)phenol?
The canonical SMILES for 2-amino-4-(4-methylpyrazol-1-yl)phenol is Cc1cnn(-c2ccc(O)c(N)c2)c1.
What is the InChIKey of 2-amino-4-(4-methylpyrazol-1-yl)phenol?
The InChIKey is IPBAREYBHVSYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-5-12-13(6-7)8-2-3-10(14)9(11)4-8/h2-6,14H,11H2,1H3.
What are the key properties of 2-amino-4-(4-methylpyrazol-1-yl)phenol?
2-amino-4-(4-methylpyrazol-1-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpyrazol-1-yl)phenol is sourced from PubChem (CID 84662036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).