methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate

C7H9FN2O2 — CID 164664770

IUPACmethyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1cc(F)n(C)n1
InChIInChI=1S/C7H9FN2O2/c1-10-6(8)3-5(9-10)4-7(11)12-2/h3H,4H2,1-2H3
InChIKeyYWWGNRVAJXSQEE-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.27
Rot. Bonds2

About methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate

methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate (PubChem CID 164664770) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate
PubChem CID164664770
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Namemethyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1cc(F)n(C)n1
InChIInChI=1S/C7H9FN2O2/c1-10-6(8)3-5(9-10)4-7(11)12-2/h3H,4H2,1-2H3
InChIKeyYWWGNRVAJXSQEE-UHFFFAOYSA-N
XLogP0.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dimethyl-1H-pyrazol-5-yl)acetic acid
CID 15321738
Ethyl [3-(heptafluoropropyl)-1-methyl-1H-pyrazol-5-yl]acetate
CID 102191289
Ethyl [5-(heptafluoropropyl)-1-methyl-1H-pyrazol-3-yl]acetate
CID 125472166
methyl 2-(1-methyl-1H-pyrazol-3-yl)acetate
CID 13269736
(1-methyl-1H-pyrazol-3-yl)acetic acid
CID 13374526
2-(1,5-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 23397163
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-acetic acid
CID 50896679
2-(1-methyl-1H-pyrazol-5-yl)acetic acid
CID 50896807
2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetic acid
CID 60136553
1H-Pyrazole-3-acetic acid, 1-(difluoromethyl)-
CID 66509397
2-(1-methyl-1H-pyrazol-3-yl)acetic acid hydrochloride
CID 71306210
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 83852380

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate (CID 164664770) is methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate is COC(=O)Cc1cc(F)n(C)n1.
What is the InChIKey of methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate?
The InChIKey is YWWGNRVAJXSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-10-6(8)3-5(9-10)4-7(11)12-2/h3H,4H2,1-2H3.
What are the key properties of methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate?
methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate has a molecular weight of 172.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-1-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 164664770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).