2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol

C11H12ClN3O2 — CID 136942315

IUPAC2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(-c2cc(N)n[nH]2)c1O
InChIInChI=1S/C11H12ClN3O2/c1-5-3-6(12)11(17-2)10(16)9(5)7-4-8(13)15-14-7/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyZPZYUPDALAANMV-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.33
Rot. Bonds2

About 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol

2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol (PubChem CID 136942315) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
PubChem CID136942315
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(-c2cc(N)n[nH]2)c1O
InChIInChI=1S/C11H12ClN3O2/c1-5-3-6(12)11(17-2)10(16)9(5)7-4-8(13)15-14-7/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyZPZYUPDALAANMV-UHFFFAOYSA-N
XLogP2.33
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol (CID 136942315) is 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol is COc1c(Cl)cc(C)c(-c2cc(N)n[nH]2)c1O.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
The InChIKey is ZPZYUPDALAANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-5-3-6(12)11(17-2)10(16)9(5)7-4-8(13)15-14-7/h3-4,16H,1-2H3,(H3,13,14,15).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol has a molecular weight of 253.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol is sourced from PubChem (CID 136942315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).