methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate

C14H17FN4O2 — CID 102808924

IUPACmethyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate
SMILESCCN(C)c1nn(-c2cccc(F)c2)c(N)c1C(=O)OC
InChIInChI=1S/C14H17FN4O2/c1-4-18(2)13-11(14(20)21-3)12(16)19(17-13)10-7-5-6-9(15)8-10/h5-8H,4,16H2,1-3H3
InChIKeyKFTLTAPHVWTBJD-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.84
Rot. Bonds4

About methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate

methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate (PubChem CID 102808924) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate
PubChem CID102808924
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate
SMILESCCN(C)c1nn(-c2cccc(F)c2)c(N)c1C(=O)OC
InChIInChI=1S/C14H17FN4O2/c1-4-18(2)13-11(14(20)21-3)12(16)19(17-13)10-7-5-6-9(15)8-10/h5-8H,4,16H2,1-3H3
InChIKeyKFTLTAPHVWTBJD-UHFFFAOYSA-N
XLogP1.84
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-3-(ethylamino)-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808930
3-N-ethyl-1-(3-fluorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826146
methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate
CID 103294179
methyl 5-ethyl-1-(3-fluorophenyl)triazole-4-carboxylate
CID 94068964
methyl 1-(3-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 94068963
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102809172
methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
CID 102808760
methyl 3-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 57337677
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102809174
methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
CID 102809192

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate (CID 102808924) is methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate is CCN(C)c1nn(-c2cccc(F)c2)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate?
The InChIKey is KFTLTAPHVWTBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-4-18(2)13-11(14(20)21-3)12(16)19(17-13)10-7-5-6-9(15)8-10/h5-8H,4,16H2,1-3H3.
What are the key properties of methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate?
methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 102808924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).