4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine

C13H16ClN3O2 — CID 117452245

IUPAC4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)c(OC)c(Cl)c1C
InChIInChI=1S/C13H16ClN3O2/c1-7-10(18-3)5-8(12(19-4)11(7)14)9-6-16-17(2)13(9)15/h5-6H,15H2,1-4H3
InChIKeyZUFDHXBYYVOBSC-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.65
Rot. Bonds3

About 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine

4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117452245) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117452245
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)c(OC)c(Cl)c1C
InChIInChI=1S/C13H16ClN3O2/c1-7-10(18-3)5-8(12(19-4)11(7)14)9-6-16-17(2)13(9)15/h5-6H,15H2,1-4H3
InChIKeyZUFDHXBYYVOBSC-UHFFFAOYSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418562
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine (CID 117452245) is 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine is COc1cc(-c2cnn(C)c2N)c(OC)c(Cl)c1C.
What is the InChIKey of 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is ZUFDHXBYYVOBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-7-10(18-3)5-8(12(19-4)11(7)14)9-6-16-17(2)13(9)15/h5-6H,15H2,1-4H3.
What are the key properties of 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 281.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117452245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).