N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide

C15H14BrClFN3O2 — CID 2970400

IUPACN-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Br)C1CCCO1
InChIInChI=1S/C15H14BrClFN3O2/c16-10-8-21(7-9-11(17)3-1-4-12(9)18)20-14(10)19-15(22)13-5-2-6-23-13/h1,3-4,8,13H,2,5-7H2,(H,19,20,22)
InChIKeyKWGPQUUYQPVPDJ-UHFFFAOYSA-N
MW402.65 g/mol
LogP3.60
Rot. Bonds4

About N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide

N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 2970400) has the molecular formula C15H14BrClFN3O2 and a molecular weight of 402.65 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID2970400
Molecular FormulaC15H14BrClFN3O2
Molecular Weight402.65 g/mol
Exact Mass400.99
IUPAC NameN-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Br)C1CCCO1
InChIInChI=1S/C15H14BrClFN3O2/c16-10-8-21(7-9-11(17)3-1-4-12(9)18)20-14(10)19-15(22)13-5-2-6-23-13/h1,3-4,8,13H,2,5-7H2,(H,19,20,22)
InChIKeyKWGPQUUYQPVPDJ-UHFFFAOYSA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.65
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide (CID 2970400) is N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide is O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Br)C1CCCO1.
What is the InChIKey of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is KWGPQUUYQPVPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN3O2/c16-10-8-21(7-9-11(17)3-1-4-12(9)18)20-14(10)19-15(22)13-5-2-6-23-13/h1,3-4,8,13H,2,5-7H2,(H,19,20,22).
What are the key properties of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide?
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 402.65 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 2970400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).