[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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Related Compounds

[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine
CID 117124164
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
CID 117124112
3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57350722
2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
(2S)-1-[[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93217743
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 142218254
3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 42850467
(2S)-1-[[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93217739

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).