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

C10H10ClN3O — CID 136968433

IUPAC4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
SMILESCn1nc(-c2ccc(O)c(Cl)c2)cc1N
InChIInChI=1S/C10H10ClN3O/c1-14-10(12)5-8(13-14)6-2-3-9(15)7(11)4-6/h2-5,15H,12H2,1H3
InChIKeyPXEWHUYTMKJCKT-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.03
Rot. Bonds1

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

4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol (PubChem CID 136968433) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
PubChem CID136968433
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
SMILESCn1nc(-c2ccc(O)c(Cl)c2)cc1N
InChIInChI=1S/C10H10ClN3O/c1-14-10(12)5-8(13-14)6-2-3-9(15)7(11)4-6/h2-5,15H,12H2,1H3
InChIKeyPXEWHUYTMKJCKT-UHFFFAOYSA-N
XLogP2.03
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol (CID 136968433) is 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol is Cn1nc(-c2ccc(O)c(Cl)c2)cc1N.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol?
The InChIKey is PXEWHUYTMKJCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14-10(12)5-8(13-14)6-2-3-9(15)7(11)4-6/h2-5,15H,12H2,1H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol?
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol has a molecular weight of 223.66 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol is sourced from PubChem (CID 136968433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).