2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C16H17FN4O2 — CID 75393451

IUPAC2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)c2ccncc2F)cn1
InChIInChI=1S/C16H17FN4O2/c1-20-10-11(8-19-20)15(22)7-12-3-2-6-21(12)16(23)13-4-5-18-9-14(13)17/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyYICAWKYTIXSYPP-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.83
Rot. Bonds4

About 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75393451) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75393451
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)c2ccncc2F)cn1
InChIInChI=1S/C16H17FN4O2/c1-20-10-11(8-19-20)15(22)7-12-3-2-6-21(12)16(23)13-4-5-18-9-14(13)17/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyYICAWKYTIXSYPP-UHFFFAOYSA-N
XLogP1.83
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75393451) is 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CC2CCCN2C(=O)c2ccncc2F)cn1.
What is the InChIKey of 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is YICAWKYTIXSYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-20-10-11(8-19-20)15(22)7-12-3-2-6-21(12)16(23)13-4-5-18-9-14(13)17/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 316.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75393451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).