4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine

C13H16ClN3O2 — CID 117452228

IUPAC4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCCc1cc(-c2cn[nH]c2N)c(OC)c(Cl)c1OC
InChIInChI=1S/C13H16ClN3O2/c1-4-7-5-8(9-6-16-17-13(9)15)12(19-3)10(14)11(7)18-2/h5-6H,4H2,1-3H3,(H3,15,16,17)
InChIKeyRIQYHYWIHABQBI-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.89
Rot. Bonds4

About 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine

4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117452228) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117452228
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCCc1cc(-c2cn[nH]c2N)c(OC)c(Cl)c1OC
InChIInChI=1S/C13H16ClN3O2/c1-4-7-5-8(9-6-16-17-13(9)15)12(19-3)10(14)11(7)18-2/h5-6H,4H2,1-3H3,(H3,15,16,17)
InChIKeyRIQYHYWIHABQBI-UHFFFAOYSA-N
XLogP2.89
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452223
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162
4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117459290
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(3-chloro-5-ethyl-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117351847

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine (CID 117452228) is 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine is CCc1cc(-c2cn[nH]c2N)c(OC)c(Cl)c1OC.
What is the InChIKey of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is RIQYHYWIHABQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-4-7-5-8(9-6-16-17-13(9)15)12(19-3)10(14)11(7)18-2/h5-6H,4H2,1-3H3,(H3,15,16,17).
What are the key properties of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine?
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 281.74 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117452228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).