2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline

C14H19N3O — CID 66009525

IUPAC2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline
SMILESCCCc1nn(C)cc1-c1ccc(OC)c(N)c1
InChIInChI=1S/C14H19N3O/c1-4-5-13-11(9-17(2)16-13)10-6-7-14(18-3)12(15)8-10/h6-9H,4-5,15H2,1-3H3
InChIKeyGOYMKUVTEWIBJN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds4

About 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline

2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline (PubChem CID 66009525) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline
PubChem CID66009525
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline
SMILESCCCc1nn(C)cc1-c1ccc(OC)c(N)c1
InChIInChI=1S/C14H19N3O/c1-4-5-13-11(9-17(2)16-13)10-6-7-14(18-3)12(15)8-10/h6-9H,4-5,15H2,1-3H3
InChIKeyGOYMKUVTEWIBJN-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline?
The IUPAC name of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline (CID 66009525) is 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline?
The canonical SMILES for 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline is CCCc1nn(C)cc1-c1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline?
The InChIKey is GOYMKUVTEWIBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-5-13-11(9-17(2)16-13)10-6-7-14(18-3)12(15)8-10/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline?
2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)aniline is sourced from PubChem (CID 66009525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).