3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine

C17H17N3O — CID 43336761

IUPAC3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
SMILESCCOc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O/c1-2-21-15-10-8-13(9-11-15)16-12-17(18)20(19-16)14-6-4-3-5-7-14/h3-12H,2,18H2,1H3
InChIKeyHYXWPBWUGIIGKU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.52
Rot. Bonds4

About 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine

3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine (PubChem CID 43336761) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
PubChem CID43336761
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
SMILESCCOc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O/c1-2-21-15-10-8-13(9-11-15)16-12-17(18)20(19-16)14-6-4-3-5-7-14/h3-12H,2,18H2,1H3
InChIKeyHYXWPBWUGIIGKU-UHFFFAOYSA-N
XLogP3.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-iodophenyl)-1-phenylpyrazol-5-amine
CID 43336728
3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
CID 63210180
2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 82270966
3-(3,5-dichlorophenyl)-1-phenylpyrazol-5-amine
CID 43336748
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
3-(furan-3-yl)-1-phenylpyrazol-5-amine
CID 43158974
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 71040961
6-(4-ethoxyphenyl)-3-ethylsulfanyl-4-(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)pyridazine
CID 15064231
3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine
CID 107988579
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
CID 44763130

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine (CID 43336761) is 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine is CCOc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is HYXWPBWUGIIGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-21-15-10-8-13(9-11-15)16-12-17(18)20(19-16)14-6-4-3-5-7-14/h3-12H,2,18H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine?
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 43336761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).