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

C12H14ClN3O2 — CID 117422676

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(-c2cnn(C)c2N)c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-6-4-8(17)11(18-3)10(13)9(6)7-5-15-16(2)12(7)14/h4-5,17H,14H2,1-3H3
InChIKeySMEJYBPJUAAUEO-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.35
Rot. Bonds2

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

4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol (PubChem CID 117422676) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
PubChem CID117422676
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(-c2cnn(C)c2N)c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-6-4-8(17)11(18-3)10(13)9(6)7-5-15-16(2)12(7)14/h4-5,17H,14H2,1-3H3
InChIKeySMEJYBPJUAAUEO-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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Related Compounds

3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418562
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547
4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol
CID 117338197
4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348200
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
3-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348192

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol (CID 117422676) is 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol is COc1c(O)cc(C)c(-c2cnn(C)c2N)c1Cl.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol?
The InChIKey is SMEJYBPJUAAUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-6-4-8(17)11(18-3)10(13)9(6)7-5-15-16(2)12(7)14/h4-5,17H,14H2,1-3H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol?
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-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 4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol is sourced from PubChem (CID 117422676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).