(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate

C12H12FN3O2 — CID 55035595

IUPAC(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)8-18-12(17)7-16-6-5-11(14)15-16/h1-6H,7-8H2,(H2,14,15)
InChIKeyBBGJYKHBNLVMEQ-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.35
Rot. Bonds4

About (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate

(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 55035595) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID55035595
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)8-18-12(17)7-16-6-5-11(14)15-16/h1-6H,7-8H2,(H2,14,15)
InChIKeyBBGJYKHBNLVMEQ-UHFFFAOYSA-N
XLogP1.35
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromo-5-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 62111918
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 55035632
2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113235
(5-bromothiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113590
(5-bromo-2-pyridinyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 104808464
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645
(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
CID 63933223
quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113411
[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
CID 23737434
(2-fluorophenyl)methyl 3,3-dimethylbutanoate
CID 78760332
1-[(2,3-difluorophenyl)methyl]pyrazol-3-amine
CID 60783235
2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
CID 68584294

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate (CID 55035595) is (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCc2ccccc2F)n1.
What is the InChIKey of (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is BBGJYKHBNLVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)8-18-12(17)7-16-6-5-11(14)15-16/h1-6H,7-8H2,(H2,14,15).
What are the key properties of (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 249.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 55035595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).