4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

C15H17F2N3O2 — CID 19328033

IUPAC4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1cnn(CCCNC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H17F2N3O2/c1-11-9-19-20(10-11)8-2-7-18-14(21)12-3-5-13(6-4-12)22-15(16)17/h3-6,9-10,15H,2,7-8H2,1H3,(H,18,21)
InChIKeyAZYNOCSZOMUKSN-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.61
Rot. Bonds7

About 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19328033) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19328033
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1cnn(CCCNC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H17F2N3O2/c1-11-9-19-20(10-11)8-2-7-18-14(21)12-3-5-13(6-4-12)22-15(16)17/h3-6,9-10,15H,2,7-8H2,1H3,(H,18,21)
InChIKeyAZYNOCSZOMUKSN-UHFFFAOYSA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (CID 19328033) is 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is Cc1cnn(CCCNC(=O)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is AZYNOCSZOMUKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-11-9-19-20(10-11)8-2-7-18-14(21)12-3-5-13(6-4-12)22-15(16)17/h3-6,9-10,15H,2,7-8H2,1H3,(H,18,21).
What are the key properties of 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 309.32 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19328033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).