[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine

C14H19N3O — CID 117124151

IUPAC[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCc1nn(-c2ccc(C)cc2)c(OC)c1CN
InChIInChI=1S/C14H19N3O/c1-4-13-12(9-15)14(18-3)17(16-13)11-7-5-10(2)6-8-11/h5-8H,4,9,15H2,1-3H3
InChIKeyXFWRFEUDOWIWTN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.21
Rot. Bonds4

About [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine

[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 117124151) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID117124151
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCc1nn(-c2ccc(C)cc2)c(OC)c1CN
InChIInChI=1S/C14H19N3O/c1-4-13-12(9-15)14(18-3)17(16-13)11-7-5-10(2)6-8-11/h5-8H,4,9,15H2,1-3H3
InChIKeyXFWRFEUDOWIWTN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine (CID 117124151) is [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine is CCc1nn(-c2ccc(C)cc2)c(OC)c1CN.
What is the InChIKey of [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is XFWRFEUDOWIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-13-12(9-15)14(18-3)17(16-13)11-7-5-10(2)6-8-11/h5-8H,4,9,15H2,1-3H3.
What are the key properties of [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine?
[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 117124151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).