N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C14H21F2N3O — CID 1224578

IUPACN-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H21F2N3O/c1-10-8-12(14(15)16)18-19(10)9-13(20)17-11-6-4-2-3-5-7-11/h8,11,14H,2-7,9H2,1H3,(H,17,20)
InChIKeyHVFLGTSDWSLJHN-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.97
Rot. Bonds4

About N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 1224578) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID1224578
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H21F2N3O/c1-10-8-12(14(15)16)18-19(10)9-13(20)17-11-6-4-2-3-5-7-11/h8,11,14H,2-7,9H2,1H3,(H,17,20)
InChIKeyHVFLGTSDWSLJHN-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 1224578) is N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)nn1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is HVFLGTSDWSLJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-10-8-12(14(15)16)18-19(10)9-13(20)17-11-6-4-2-3-5-7-11/h8,11,14H,2-7,9H2,1H3,(H,17,20).
What are the key properties of N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 1224578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).