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

C12H14ClN3O2 — CID 117422690

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

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

4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117422690) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117422690
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(Cl)c(OC)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C12H14ClN3O2/c1-16-12(14)9(6-15-16)8-4-7(17-2)5-10(13)11(8)18-3/h4-6H,14H2,1-3H3
InChIKeyZCDGJRQJNXFXOL-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-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
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-(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-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117369926
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
4-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2,3-dimethoxybenzaldehyde
CID 117476382

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine (CID 117422690) is 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine is COc1cc(Cl)c(OC)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is ZCDGJRQJNXFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16-12(14)9(6-15-16)8-4-7(17-2)5-10(13)11(8)18-3/h4-6H,14H2,1-3H3.
What are the key properties of 4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
4-(3-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-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117422690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).