N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide

C14H12F4N4O3 — CID 1044226

IUPACN-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)n[nH]1
InChIInChI=1S/C14H12F4N4O3/c1-7-5-10(22-21-7)19-13(24)20-11(23)8-3-2-4-9(6-8)25-14(17,18)12(15)16/h2-6,12H,1H3,(H3,19,20,21,22,23,24)
InChIKeyXWJGHYGODJVHOT-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.92
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide

N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 1044226) has the molecular formula C14H12F4N4O3 and a molecular weight of 360.27 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID1044226
Molecular FormulaC14H12F4N4O3
Molecular Weight360.27 g/mol
Exact Mass360.08
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)n[nH]1
InChIInChI=1S/C14H12F4N4O3/c1-7-5-10(22-21-7)19-13(24)20-11(23)8-3-2-4-9(6-8)25-14(17,18)12(15)16/h2-6,12H,1H3,(H3,19,20,21,22,23,24)
InChIKeyXWJGHYGODJVHOT-UHFFFAOYSA-N
XLogP2.92
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 1044226) is N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide is Cc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is XWJGHYGODJVHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O3/c1-7-5-10(22-21-7)19-13(24)20-11(23)8-3-2-4-9(6-8)25-14(17,18)12(15)16/h2-6,12H,1H3,(H3,19,20,21,22,23,24).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 360.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 1044226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).