N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide

C19H13F6N3O2 — CID 10296231

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H13F6N3O2/c1-30-14-5-3-2-4-13(14)17(29)26-11-6-8-12(9-7-11)28-16(19(23,24)25)10-15(27-28)18(20,21)22/h2-10H,1H3,(H,26,29)
InChIKeyGBLSVCWWTOMDGD-UHFFFAOYSA-N
MW429.32 g/mol
LogP5.17
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide (PubChem CID 10296231) has the molecular formula C19H13F6N3O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide
PubChem CID10296231
Molecular FormulaC19H13F6N3O2
Molecular Weight429.32 g/mol
Exact Mass429.09
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H13F6N3O2/c1-30-14-5-3-2-4-13(14)17(29)26-11-6-8-12(9-7-11)28-16(19(23,24)25)10-15(27-28)18(20,21)22/h2-10H,1H3,(H,26,29)
InChIKeyGBLSVCWWTOMDGD-UHFFFAOYSA-N
XLogP5.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide (CID 10296231) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide?
The InChIKey is GBLSVCWWTOMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O2/c1-30-14-5-3-2-4-13(14)17(29)26-11-6-8-12(9-7-11)28-16(19(23,24)25)10-15(27-28)18(20,21)22/h2-10H,1H3,(H,26,29).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide has a molecular weight of 429.32 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 10296231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).