2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C9H14FN3O2 — CID 80693695

IUPAC2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCCF
InChIInChI=1S/C9H14FN3O2/c1-3-13-8(7(11)6(2)12-13)9(14)15-5-4-10/h3-5,11H2,1-2H3
InChIKeyBMXNCPZZSRGLGW-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.92
Rot. Bonds4

About 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 80693695) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID80693695
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCCF
InChIInChI=1S/C9H14FN3O2/c1-3-13-8(7(11)6(2)12-13)9(14)15-5-4-10/h3-5,11H2,1-2H3
InChIKeyBMXNCPZZSRGLGW-UHFFFAOYSA-N
XLogP0.92
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-formyl-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 22356652
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 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate
CID 2743727
3-(4-amino-1,3-dimethyl-1H-pyrazole-5-carbonyloxy)propanoic acid hydrochloride
CID 165942127
ethyl 1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 4154753
Ethyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
CID 9855653
Ethyl 4-chloro-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 14793346
Ethyl 1-cyclopropyl-4-iodo-3-methyl-1H-pyrazole-5-carboxylate
CID 117702692
ethyl 3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylate
CID 57441025
2,5-dimethyl-4-trifluoromethyl-2H-pyrazole-3-carboxylic acid ethyl ester
CID 57574500
Methyl 4-amino-5-carbamoyl-1-[2-(3-fluoropropoxy)ethyl]pyrazole-3-carboxylate
CID 57799201

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 80693695) is 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is BMXNCPZZSRGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-3-13-8(7(11)6(2)12-13)9(14)15-5-4-10/h3-5,11H2,1-2H3.
What are the key properties of 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 80693695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).