[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine

C15H19N3O — CID 107958644

IUPAC[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCOc1ccc(-n2ncc(CN)c2C2CC2)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-14-7-5-13(6-8-14)18-15(11-3-4-11)12(9-16)10-17-18/h5-8,10-11H,2-4,9,16H2,1H3
InChIKeyUBDVXGFNNJFJOF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds5

About [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine

[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine (PubChem CID 107958644) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine
PubChem CID107958644
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCOc1ccc(-n2ncc(CN)c2C2CC2)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-14-7-5-13(6-8-14)18-15(11-3-4-11)12(9-16)10-17-18/h5-8,10-11H,2-4,9,16H2,1H3
InChIKeyUBDVXGFNNJFJOF-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95457156
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
4-(chloromethyl)-1-(4-ethoxyphenyl)-5-ethylpyrazole
CID 107958672
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 82527899
(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
CID 171340448
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82527897
[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine (CID 107958644) is [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine is CCOc1ccc(-n2ncc(CN)c2C2CC2)cc1.
What is the InChIKey of [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine?
The InChIKey is UBDVXGFNNJFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-14-7-5-13(6-8-14)18-15(11-3-4-11)12(9-16)10-17-18/h5-8,10-11H,2-4,9,16H2,1H3.
What are the key properties of [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine?
[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 107958644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).