ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate

C19H23FN4O2 — CID 118614696

IUPACethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(C2=C(C)CCN(c3ncccc3F)C2)c1C
InChIInChI=1S/C19H23FN4O2/c1-5-26-19(25)16-13(3)17(23(4)22-16)14-11-24(10-8-12(14)2)18-15(20)7-6-9-21-18/h6-7,9H,5,8,10-11H2,1-4H3
InChIKeyPKDKTYZEGWROHD-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.12
Rot. Bonds4

About ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate

ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate (PubChem CID 118614696) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate
PubChem CID118614696
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Nameethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(C2=C(C)CCN(c3ncccc3F)C2)c1C
InChIInChI=1S/C19H23FN4O2/c1-5-26-19(25)16-13(3)17(23(4)22-16)14-11-24(10-8-12(14)2)18-15(20)7-6-9-21-18/h6-7,9H,5,8,10-11H2,1-4H3
InChIKeyPKDKTYZEGWROHD-UHFFFAOYSA-N
XLogP3.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate with MolForge

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Related Compounds

Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
3-Tert-butyl-1-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162669354
methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 66828915
2-[4-[2-[(4-Fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725666
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
ethyl 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxylate
CID 56849011
Ethyl 1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxylate
CID 172639005
Ethyl 2,5-dimethyl-1-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-3-carboxylate
CID 2740793
ethyl 1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-4-[(E)-2-phenylethenyl]pyrazole-3-carboxylate
CID 178305952
ethyl 1-[2-[[(3S)-1-(dimethylcarbamoyl)piperidin-3-yl]amino]pyrimidin-4-yl]-4-[(E)-2-phenylethenyl]pyrazole-3-carboxylate
CID 178307364
ethyl 1-[2-[[(3R)-1-(dimethylcarbamoyl)piperidin-3-yl]amino]pyrimidin-4-yl]-4-[(E)-2-phenylethenyl]pyrazole-3-carboxylate
CID 178312817

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate (CID 118614696) is ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate is CCOC(=O)c1nn(C)c(C2=C(C)CCN(c3ncccc3F)C2)c1C.
What is the InChIKey of ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate?
The InChIKey is PKDKTYZEGWROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-5-26-19(25)16-13(3)17(23(4)22-16)14-11-24(10-8-12(14)2)18-15(20)7-6-9-21-18/h6-7,9H,5,8,10-11H2,1-4H3.
What are the key properties of ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate?
ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-1,4-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 118614696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).