3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine

C14H19N3O — CID 83222885

IUPAC3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
SMILESCCOc1ccc(-c2nn(C(C)C)cc2N)cc1
InChIInChI=1S/C14H19N3O/c1-4-18-12-7-5-11(6-8-12)14-13(15)9-17(16-14)10(2)3/h5-10H,4,15H2,1-3H3
InChIKeyQEZJUMHIVIRZOD-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.11
Rot. Bonds4

About 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine

3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 83222885) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID83222885
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
SMILESCCOc1ccc(-c2nn(C(C)C)cc2N)cc1
InChIInChI=1S/C14H19N3O/c1-4-18-12-7-5-11(6-8-12)14-13(15)9-17(16-14)10(2)3/h5-10H,4,15H2,1-3H3
InChIKeyQEZJUMHIVIRZOD-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine
CID 83203363
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469
1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine
CID 83207724
1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine
CID 83216682
4-(chloromethyl)-3-(4-ethoxyphenyl)-1-methylpyrazole
CID 39095673
2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
CID 39097031
4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336687
5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360546
[3-(4-ethoxyphenyl)pyrazin-2-yl]hydrazine
CID 112559554
6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822998
5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
CID 62219228
6-(4-ethoxyphenyl)pyridin-3-amine
CID 79018845

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine (CID 83222885) is 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine is CCOc1ccc(-c2nn(C(C)C)cc2N)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is QEZJUMHIVIRZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-18-12-7-5-11(6-8-12)14-13(15)9-17(16-14)10(2)3/h5-10H,4,15H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine?
3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.11, 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-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 83222885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).