N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide

C14H15F2N3O2 — CID 111477656

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-14(21,11-3-2-9(15)6-12(11)16)8-17-13(20)7-10-4-5-18-19-10/h2-6,21H,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyHIQQQHKWADCPLE-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 111477656) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID111477656
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-14(21,11-3-2-9(15)6-12(11)16)8-17-13(20)7-10-4-5-18-19-10/h2-6,21H,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyHIQQQHKWADCPLE-UHFFFAOYSA-N
XLogP1.25
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
CID 111335334
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111335461
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
CID 111335375
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide (CID 111477656) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide is CC(O)(CNC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is HIQQQHKWADCPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-14(21,11-3-2-9(15)6-12(11)16)8-17-13(20)7-10-4-5-18-19-10/h2-6,21H,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 295.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 111477656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).