N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide

C16H11F2N3O2 — CID 68717866

IUPACN-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc(F)cc2F)c1)n1cccn1
InChIInChI=1S/C16H11F2N3O2/c17-11-5-6-15(14(18)9-11)23-13-4-1-3-12(10-13)20-16(22)21-8-2-7-19-21/h1-10H,(H,20,22)
InChIKeyXTERTIWZIROHFT-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.03
Rot. Bonds3

About N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide

N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide (PubChem CID 68717866) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide
PubChem CID68717866
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC NameN-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc(F)cc2F)c1)n1cccn1
InChIInChI=1S/C16H11F2N3O2/c17-11-5-6-15(14(18)9-11)23-13-4-1-3-12(10-13)20-16(22)21-8-2-7-19-21/h1-10H,(H,20,22)
InChIKeyXTERTIWZIROHFT-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide (CID 68717866) is N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide is O=C(Nc1cccc(Oc2ccc(F)cc2F)c1)n1cccn1.
What is the InChIKey of N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide?
The InChIKey is XTERTIWZIROHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-11-5-6-15(14(18)9-11)23-13-4-1-3-12(10-13)20-16(22)21-8-2-7-19-21/h1-10H,(H,20,22).
What are the key properties of N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide?
N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide has a molecular weight of 315.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenoxy)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 68717866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).