2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

C15H17FN4O2 — CID 167784514

IUPAC2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(Cc1ncccc1F)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H17FN4O2/c16-13-4-1-5-17-14(13)7-15(21)19-11-8-18-20(9-11)10-12-3-2-6-22-12/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,19,21)
InChIKeyNTJFTBFITPIGAC-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.78
Rot. Bonds5

About 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 167784514) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID167784514
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(Cc1ncccc1F)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H17FN4O2/c16-13-4-1-5-17-14(13)7-15(21)19-11-8-18-20(9-11)10-12-3-2-6-22-12/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,19,21)
InChIKeyNTJFTBFITPIGAC-UHFFFAOYSA-N
XLogP1.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
2-(2-fluorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354491
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 119099765
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
2-(6-fluoro-1H-indol-3-yl)-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 95597083
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 167784514) is 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is O=C(Cc1ncccc1F)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is NTJFTBFITPIGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-13-4-1-5-17-14(13)7-15(21)19-11-8-18-20(9-11)10-12-3-2-6-22-12/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,19,21).
What are the key properties of 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 304.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 167784514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).