N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide

C13H13F2N3O2 — CID 47175480

IUPACN-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2N3O2/c14-13(15)20-11-4-2-10(3-5-11)17-12(19)6-9-18-8-1-7-16-18/h1-5,7-8,13H,6,9H2,(H,17,19)
InChIKeyWZIGHLINEZMOPC-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.51
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide

N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide (PubChem CID 47175480) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
PubChem CID47175480
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2N3O2/c14-13(15)20-11-4-2-10(3-5-11)17-12(19)6-9-18-8-1-7-16-18/h1-5,7-8,13H,6,9H2,(H,17,19)
InChIKeyWZIGHLINEZMOPC-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
3-pyrazol-1-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 31816779
3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471272
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
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CID 112793225

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide (CID 47175480) is N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is WZIGHLINEZMOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c14-13(15)20-11-4-2-10(3-5-11)17-12(19)6-9-18-8-1-7-16-18/h1-5,7-8,13H,6,9H2,(H,17,19).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide?
N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 281.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47175480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).