5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C12H17FN4O2 — CID 146089395

IUPAC5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCC=C(F)C2)cn1
InChIInChI=1S/C12H17FN4O2/c1-19-6-5-17-9-11(7-14-17)15-12(18)16-4-2-3-10(13)8-16/h3,7,9H,2,4-6,8H2,1H3,(H,15,18)
InChIKeyKQUQHLVWUIGZER-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.62
Rot. Bonds4

About 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 146089395) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID146089395
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCC=C(F)C2)cn1
InChIInChI=1S/C12H17FN4O2/c1-19-6-5-17-9-11(7-14-17)15-12(18)16-4-2-3-10(13)8-16/h3,7,9H,2,4-6,8H2,1H3,(H,15,18)
InChIKeyKQUQHLVWUIGZER-UHFFFAOYSA-N
XLogP1.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 146089395) is 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is COCCn1cc(NC(=O)N2CCC=C(F)C2)cn1.
What is the InChIKey of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is KQUQHLVWUIGZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-19-6-5-17-9-11(7-14-17)15-12(18)16-4-2-3-10(13)8-16/h3,7,9H,2,4-6,8H2,1H3,(H,15,18).
What are the key properties of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 146089395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).