N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide

C14H15F2N3O2 — CID 19584625

IUPACN-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H15F2N3O2/c1-10-8-17-19(9-10)7-6-13(20)18-11-4-2-3-5-12(11)21-14(15)16/h2-5,8-9,14H,6-7H2,1H3,(H,18,20)
InChIKeyOKTRPVDSCOPWOL-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 19584625) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID19584625
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H15F2N3O2/c1-10-8-17-19(9-10)7-6-13(20)18-11-4-2-3-5-12(11)21-14(15)16/h2-5,8-9,14H,6-7H2,1H3,(H,18,20)
InChIKeyOKTRPVDSCOPWOL-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 19584625) is N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is OKTRPVDSCOPWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-10-8-17-19(9-10)7-6-13(20)18-11-4-2-3-5-12(11)21-14(15)16/h2-5,8-9,14H,6-7H2,1H3,(H,18,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 295.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19584625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).