3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C10H14F3N3O2 — CID 66118052

IUPAC3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCCC(F)(F)F)c1N
InChIInChI=1S/C10H14F3N3O2/c1-3-6-7(14)8(16(2)15-6)9(17)18-5-4-10(11,12)13/h3-5,14H2,1-2H3
InChIKeyBEMIYSFLRXEAIF-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.67
Rot. Bonds4

About 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 66118052) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID66118052
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCCC(F)(F)F)c1N
InChIInChI=1S/C10H14F3N3O2/c1-3-6-7(14)8(16(2)15-6)9(17)18-5-4-10(11,12)13/h3-5,14H2,1-2H3
InChIKeyBEMIYSFLRXEAIF-UHFFFAOYSA-N
XLogP1.67
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 15836223
methyl 4-amino-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 20715109
Methyl 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)pyrazole-3-carboxylate
CID 88937785
3-(4-amino-1,3-dimethyl-1H-pyrazole-5-carbonyloxy)propanoic acid hydrochloride
CID 165942127
Ethyl 2-methyl-4-nitro-5-propylpyrazole-3-carboxylate
CID 1381944
Methyl 4-amino-5-carbamoyl-1-[2-(3-fluoropropoxy)ethyl]pyrazole-3-carboxylate
CID 57799201
Methyl 4-amino-5-carbamoyl-1-[2-(2,2-difluoroethoxy)ethyl]pyrazole-3-carboxylate
CID 57799209
Methyl 4-amino-5-carbamoyl-1-[2-(3,3,3-trifluoropropoxy)ethyl]pyrazole-3-carboxylate
CID 57799239
ethyl 3-(2-fluoropropan-2-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 58542538
Methyl 4-amino-5-carbamoyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxylate
CID 58935537
4-Amino-5-methoxycarbonyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxylic acid
CID 60046898
5-tert-Butyl-4-fluoro-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
CID 67413334

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 66118052) is 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OCCC(F)(F)F)c1N.
What is the InChIKey of 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is BEMIYSFLRXEAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-6-7(14)8(16(2)15-6)9(17)18-5-4-10(11,12)13/h3-5,14H2,1-2H3.
What are the key properties of 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 265.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66118052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).