ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate

C17H14FN3O2 — CID 67238757

IUPACethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-n1cc(F)c(-c2ccccc2)n1
InChIInChI=1S/C17H14FN3O2/c1-2-23-17(22)13-9-6-10-19-16(13)21-11-14(18)15(20-21)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyNDNQGBWQXWLZDW-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.25
Rot. Bonds4

About ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate

ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate (PubChem CID 67238757) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate
PubChem CID67238757
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Nameethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-n1cc(F)c(-c2ccccc2)n1
InChIInChI=1S/C17H14FN3O2/c1-2-23-17(22)13-9-6-10-19-16(13)21-11-14(18)15(20-21)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyNDNQGBWQXWLZDW-UHFFFAOYSA-N
XLogP3.25
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
ethyl 1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 20855126
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 822828
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
Prop-2-enyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086279
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10355880
Prop-2-enyl 4-amino-6-methyl-1-pent-3-ynylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10357326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate (CID 67238757) is ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1-n1cc(F)c(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate?
The InChIKey is NDNQGBWQXWLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-23-17(22)13-9-6-10-19-16(13)21-11-14(18)15(20-21)12-7-4-3-5-8-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate?
ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-3-phenylpyrazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 67238757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).