4-amino-3-(4-methylpyrazol-1-yl)phenol

C10H11N3O — CID 84662020

IUPAC4-amino-3-(4-methylpyrazol-1-yl)phenol
SMILESCc1cnn(-c2cc(O)ccc2N)c1
InChIInChI=1S/C10H11N3O/c1-7-5-12-13(6-7)10-4-8(14)2-3-9(10)11/h2-6,14H,11H2,1H3
InChIKeyJJDSMKVCWXDZIS-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.47
Rot. Bonds1

About 4-amino-3-(4-methylpyrazol-1-yl)phenol

4-amino-3-(4-methylpyrazol-1-yl)phenol (PubChem CID 84662020) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-amino-3-(4-methylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-amino-3-(4-methylpyrazol-1-yl)phenol
PubChem CID84662020
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-amino-3-(4-methylpyrazol-1-yl)phenol
SMILESCc1cnn(-c2cc(O)ccc2N)c1
InChIInChI=1S/C10H11N3O/c1-7-5-12-13(6-7)10-4-8(14)2-3-9(10)11/h2-6,14H,11H2,1H3
InChIKeyJJDSMKVCWXDZIS-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(4-methylpyrazol-1-yl)phenol
CID 175887944
3-chloro-4-(4-methylpyrazol-1-yl)phenol
CID 70819185
5-chloro-2-(4-methylpyrazol-1-yl)aniline
CID 19624514
2-amino-4-(4-methylpyrazol-1-yl)phenol
CID 84662036
ethyl 3-amino-4-(4-methylpyrazol-1-yl)benzoate
CID 61311701
5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline
CID 82506416
3-amino-4-(4-methylpyrazol-1-yl)benzonitrile
CID 60874595
2-methyl-6-(4-methylpyrazol-1-yl)aniline
CID 84661085
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol
CID 137250300
[3-methyl-4-(4-methylpyrazol-1-yl)phenyl]methanol
CID 62122559
N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60872141

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylpyrazol-1-yl)phenol?
The IUPAC name of 4-amino-3-(4-methylpyrazol-1-yl)phenol (CID 84662020) is 4-amino-3-(4-methylpyrazol-1-yl)phenol.
What is the SMILES notation for 4-amino-3-(4-methylpyrazol-1-yl)phenol?
The canonical SMILES for 4-amino-3-(4-methylpyrazol-1-yl)phenol is Cc1cnn(-c2cc(O)ccc2N)c1.
What is the InChIKey of 4-amino-3-(4-methylpyrazol-1-yl)phenol?
The InChIKey is JJDSMKVCWXDZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-5-12-13(6-7)10-4-8(14)2-3-9(10)11/h2-6,14H,11H2,1H3.
What are the key properties of 4-amino-3-(4-methylpyrazol-1-yl)phenol?
4-amino-3-(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 4-amino-3-(4-methylpyrazol-1-yl)phenol is sourced from PubChem (CID 84662020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).