4-(5-amino-3-methylpyrazol-1-yl)phenol

C10H11N3O — CID 21432541

IUPAC4-(5-amino-3-methylpyrazol-1-yl)phenol
SMILESCc1cc(N)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H11N3O/c1-7-6-10(11)13(12-7)8-2-4-9(14)5-3-8/h2-6,14H,11H2,1H3
InChIKeyMHTFWOKOHNVHMQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.47
Rot. Bonds1

About 4-(5-amino-3-methylpyrazol-1-yl)phenol

4-(5-amino-3-methylpyrazol-1-yl)phenol (PubChem CID 21432541) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(5-amino-3-methylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-3-methylpyrazol-1-yl)phenol
PubChem CID21432541
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(5-amino-3-methylpyrazol-1-yl)phenol
SMILESCc1cc(N)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H11N3O/c1-7-6-10(11)13(12-7)8-2-4-9(14)5-3-8/h2-6,14H,11H2,1H3
InChIKeyMHTFWOKOHNVHMQ-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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)phenol?
The IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)phenol (CID 21432541) is 4-(5-amino-3-methylpyrazol-1-yl)phenol.
What is the SMILES notation for 4-(5-amino-3-methylpyrazol-1-yl)phenol?
The canonical SMILES for 4-(5-amino-3-methylpyrazol-1-yl)phenol is Cc1cc(N)n(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(5-amino-3-methylpyrazol-1-yl)phenol?
The InChIKey is MHTFWOKOHNVHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-6-10(11)13(12-7)8-2-4-9(14)5-3-8/h2-6,14H,11H2,1H3.
What are the key properties of 4-(5-amino-3-methylpyrazol-1-yl)phenol?
4-(5-amino-3-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-(5-amino-3-methylpyrazol-1-yl)phenol is sourced from PubChem (CID 21432541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).