4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine

C12H14ClN3O2 — CID 117422678

IUPAC4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)c(OC)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-16-12(14)8(6-15-16)7-4-11(18-3)9(13)5-10(7)17-2/h4-6H,14H2,1-3H3
InChIKeyGTUDLADVDRQAFW-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.34
Rot. Bonds3

About 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine

4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117422678) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117422678
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)c(OC)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-16-12(14)8(6-15-16)7-4-11(18-3)9(13)5-10(7)17-2/h4-6H,14H2,1-3H3
InChIKeyGTUDLADVDRQAFW-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117492733
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117421303
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547
4-(5-methoxy-1,3-benzoxathiol-6-yl)-1-methylpyrazol-5-amine
CID 117412695
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine (CID 117422678) is 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine is COc1cc(-c2cnn(C)c2N)c(OC)cc1Cl.
What is the InChIKey of 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GTUDLADVDRQAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16-12(14)8(6-15-16)7-4-11(18-3)9(13)5-10(7)17-2/h4-6H,14H2,1-3H3.
What are the key properties of 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 267.72 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117422678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).