3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol

C12H14ClN3O2 — CID 117422675

IUPAC3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Cl)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14ClN3O2/c1-6-8(13)4-9(17)11(18-3)10(6)7-5-15-16(2)12(7)14/h4-5,17H,14H2,1-3H3
InChIKeySPZDJVPZLCQUPI-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.35
Rot. Bonds2

About 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol

3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol (PubChem CID 117422675) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
PubChem CID117422675
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Cl)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14ClN3O2/c1-6-8(13)4-9(17)11(18-3)10(6)7-5-15-16(2)12(7)14/h4-5,17H,14H2,1-3H3
InChIKeySPZDJVPZLCQUPI-UHFFFAOYSA-N
XLogP2.35
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol?
The IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol (CID 117422675) is 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol is COc1c(O)cc(Cl)c(C)c1-c1cnn(C)c1N.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol?
The InChIKey is SPZDJVPZLCQUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-6-8(13)4-9(17)11(18-3)10(6)7-5-15-16(2)12(7)14/h4-5,17H,14H2,1-3H3.
What are the key properties of 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol?
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol has a molecular weight of 267.72 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol is sourced from PubChem (CID 117422675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).