2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide

C15H16F2N4O3 — CID 134701485

IUPAC2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCNC(=O)Cn1cc(NC(=O)C(C)Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C15H16F2N4O3/c1-9(24-13-4-3-10(16)5-12(13)17)15(23)20-11-6-19-21(7-11)8-14(22)18-2/h3-7,9H,8H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyTVHWKUXSFITMNZ-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.31
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide

2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 134701485) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID134701485
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCNC(=O)Cn1cc(NC(=O)C(C)Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C15H16F2N4O3/c1-9(24-13-4-3-10(16)5-12(13)17)15(23)20-11-6-19-21(7-11)8-14(22)18-2/h3-7,9H,8H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyTVHWKUXSFITMNZ-UHFFFAOYSA-N
XLogP1.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 134710621
(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
CID 42561688
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278322
3-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103706946
(2S)-2-(4-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 155950480
(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 95297420
2-(2,4-difluorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17070647
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide (CID 134701485) is 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide is CNC(=O)Cn1cc(NC(=O)C(C)Oc2ccc(F)cc2F)cn1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is TVHWKUXSFITMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c1-9(24-13-4-3-10(16)5-12(13)17)15(23)20-11-6-19-21(7-11)8-14(22)18-2/h3-7,9H,8H2,1-2H3,(H,18,22)(H,20,23).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 338.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 134701485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).