2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

C15H16FN3O3 — CID 71810096

IUPAC2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESO=C(COc1ccccc1F)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C15H16FN3O3/c16-13-3-1-2-4-14(13)22-10-15(20)18-11-7-17-19(8-11)12-5-6-21-9-12/h1-4,7-8,12H,5-6,9-10H2,(H,18,20)
InChIKeyIKLQKHXEDBLCFV-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (PubChem CID 71810096) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
PubChem CID71810096
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESO=C(COc1ccccc1F)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C15H16FN3O3/c16-13-3-1-2-4-14(13)22-10-15(20)18-11-7-17-19(8-11)12-5-6-21-9-12/h1-4,7-8,12H,5-6,9-10H2,(H,18,20)
InChIKeyIKLQKHXEDBLCFV-UHFFFAOYSA-N
XLogP2.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[1-(propan-2-yl)-1H-pyrazol-4-yl]acetamide
CID 5299738
4-(4-{[(2-fluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507064
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2-phenoxyacetamide
CID 1224540
4-{4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}butanoic acid
CID 6457824
(E)-N-(2-aminophenyl)-3-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-yl]prop-2-enamide
CID 60198480
(E)-N-(2-amino-4-fluorophenyl)-3-[1-(2-phenoxyethyl)pyrazol-4-yl]prop-2-enamide
CID 60198612
N-(1-methylpyrazol-4-yl)-4-phenoxy-butanamide
CID 145420094
4-(4-{[(4-fluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1505472
4-(4-{[(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507061
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 35592974
2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 43074241
1-(1-Ethylpyrazol-4-yl)-3-[3-(3-fluorophenoxy)-2-hydroxypropyl]urea
CID 45831777

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (CID 71810096) is 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is O=C(COc1ccccc1F)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The InChIKey is IKLQKHXEDBLCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-13-3-1-2-4-14(13)22-10-15(20)18-11-7-17-19(8-11)12-5-6-21-9-12/h1-4,7-8,12H,5-6,9-10H2,(H,18,20).
What are the key properties of 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide has a molecular weight of 305.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 71810096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).