1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine

C14H19N3O — CID 83216682

IUPAC1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine
SMILESCCCOc1ccc(-c2nn(CC)cc2N)cc1
InChIInChI=1S/C14H19N3O/c1-3-9-18-12-7-5-11(6-8-12)14-13(15)10-17(4-2)16-14/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyDSTLSNNXJNYIAL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.94
Rot. Bonds5

About 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine

1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine (PubChem CID 83216682) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine
PubChem CID83216682
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine
SMILESCCCOc1ccc(-c2nn(CC)cc2N)cc1
InChIInChI=1S/C14H19N3O/c1-3-9-18-12-7-5-11(6-8-12)14-13(15)10-17(4-2)16-14/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyDSTLSNNXJNYIAL-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine (CID 83216682) is 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine is CCCOc1ccc(-c2nn(CC)cc2N)cc1.
What is the InChIKey of 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine?
The InChIKey is DSTLSNNXJNYIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-9-18-12-7-5-11(6-8-12)14-13(15)10-17(4-2)16-14/h5-8,10H,3-4,9,15H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine?
1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 83216682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).