fluoro 2-methylpyrazole-3-carboxylate

C5H5FN2O2 — CID 142292454

IUPACfluoro 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)OF
InChIInChI=1S/C5H5FN2O2/c1-8-4(2-3-7-8)5(9)10-6/h2-3H,1H3
InChIKeyUNRANADSZQZGKO-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.46
Rot. Bonds1

About fluoro 2-methylpyrazole-3-carboxylate

fluoro 2-methylpyrazole-3-carboxylate (PubChem CID 142292454) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is fluoro 2-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namefluoro 2-methylpyrazole-3-carboxylate
PubChem CID142292454
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Namefluoro 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)OF
InChIInChI=1S/C5H5FN2O2/c1-8-4(2-3-7-8)5(9)10-6/h2-3H,1H3
InChIKeyUNRANADSZQZGKO-UHFFFAOYSA-N
XLogP0.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methylpyrazole-3-carboxylate
CID 63896646
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
butyl 2-methylpyrazole-3-carboxylate
CID 58764675
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 114972600
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 114972564
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953
methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 25248220
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
[4-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methanone
CID 114972533
(2-bromo-6-methoxyphenyl) 2-methylpyrazole-3-carboxylate
CID 71968160

Frequently Asked Questions

What is the IUPAC name of fluoro 2-methylpyrazole-3-carboxylate?
The IUPAC name of fluoro 2-methylpyrazole-3-carboxylate (CID 142292454) is fluoro 2-methylpyrazole-3-carboxylate.
What is the SMILES notation for fluoro 2-methylpyrazole-3-carboxylate?
The canonical SMILES for fluoro 2-methylpyrazole-3-carboxylate is Cn1nccc1C(=O)OF.
What is the InChIKey of fluoro 2-methylpyrazole-3-carboxylate?
The InChIKey is UNRANADSZQZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-8-4(2-3-7-8)5(9)10-6/h2-3H,1H3.
What are the key properties of fluoro 2-methylpyrazole-3-carboxylate?
fluoro 2-methylpyrazole-3-carboxylate has a molecular weight of 144.10 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylpyrazole-3-carboxylate is sourced from PubChem (CID 142292454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).