(5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

C13H11FN4O2 — CID 61315977

IUPAC(5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESN#Cc1ccc(F)c(COC(=O)Cn2cc(N)cn2)c1
InChIInChI=1S/C13H11FN4O2/c14-12-2-1-9(4-15)3-10(12)8-20-13(19)7-18-6-11(16)5-17-18/h1-3,5-6H,7-8,16H2
InChIKeyIXJFGVBOCXVQHA-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.22
Rot. Bonds4

About (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

(5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61315977) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61315977
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name(5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESN#Cc1ccc(F)c(COC(=O)Cn2cc(N)cn2)c1
InChIInChI=1S/C13H11FN4O2/c14-12-2-1-9(4-15)3-10(12)8-20-13(19)7-18-6-11(16)5-17-18/h1-3,5-6H,7-8,16H2
InChIKeyIXJFGVBOCXVQHA-UHFFFAOYSA-N
XLogP1.22
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 102669585
2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
CID 115463289
(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65339738
(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 114084635
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 62548645
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
CID 61102362
ethyl 2-[4-[2-[(4-cyano-2-fluorophenyl)methoxy]-1,3-thiazol-4-yl]pyrazol-1-yl]acetate
CID 156731353
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
ethyl 2-(5-cyano-2-fluorophenyl)acetate
CID 134652042
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
(5-bromothiophen-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61317134

Frequently Asked Questions

What is the IUPAC name of (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 61315977) is (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is N#Cc1ccc(F)c(COC(=O)Cn2cc(N)cn2)c1.
What is the InChIKey of (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is IXJFGVBOCXVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c14-12-2-1-9(4-15)3-10(12)8-20-13(19)7-18-6-11(16)5-17-18/h1-3,5-6H,7-8,16H2.
What are the key properties of (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 274.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61315977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).