(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C15H18FN3O2 — CID 114348591

IUPAC(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCc2ccc(F)cc2C)c1N
InChIInChI=1S/C15H18FN3O2/c1-4-12-13(17)14(19(3)18-12)15(20)21-8-10-5-6-11(16)7-9(10)2/h5-7H,4,8,17H2,1-3H3
InChIKeyFZALNGDIJBMIMS-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.37
Rot. Bonds4

About (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 114348591) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID114348591
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCc2ccc(F)cc2C)c1N
InChIInChI=1S/C15H18FN3O2/c1-4-12-13(17)14(19(3)18-12)15(20)21-8-10-5-6-11(16)7-9(10)2/h5-7H,4,8,17H2,1-3H3
InChIKeyFZALNGDIJBMIMS-UHFFFAOYSA-N
XLogP2.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-2-methylphenyl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 114348589
(4-bromo-2-fluorophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66119517
(4-fluoro-2-methylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 75484648
(3-bromophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66118689
(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66118684
(3-bromothiophen-2-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66116783
(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66119090
(4-fluoro-2-methylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706195
cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117193
(4-fluoro-2-methylphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 114348605
5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117835
[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117841

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 114348591) is (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OCc2ccc(F)cc2C)c1N.
What is the InChIKey of (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is FZALNGDIJBMIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-12-13(17)14(19(3)18-12)15(20)21-8-10-5-6-11(16)7-9(10)2/h5-7H,4,8,17H2,1-3H3.
What are the key properties of (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 114348591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).