N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide

C20H15F2N5O3 — CID 118562616

IUPACN-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2ncco2)cc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C20H15F2N5O3/c1-27-16(12-7-11(3-4-17(12)29-2)20-24-5-6-30-20)8-15(26-27)19(28)25-18-13(21)9-23-10-14(18)22/h3-10H,1-2H3,(H,23,25,28)
InChIKeyBAGQQVKAQQWGDH-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.68
Rot. Bonds5

About N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide

N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 118562616) has the molecular formula C20H15F2N5O3 and a molecular weight of 411.37 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID118562616
Molecular FormulaC20H15F2N5O3
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2ncco2)cc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C20H15F2N5O3/c1-27-16(12-7-11(3-4-17(12)29-2)20-24-5-6-30-20)8-15(26-27)19(28)25-18-13(21)9-23-10-14(18)22/h3-10H,1-2H3,(H,23,25,28)
InChIKeyBAGQQVKAQQWGDH-UHFFFAOYSA-N
XLogP3.68
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide (CID 118562616) is N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide is COc1ccc(-c2ncco2)cc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is BAGQQVKAQQWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3/c1-27-16(12-7-11(3-4-17(12)29-2)20-24-5-6-30-20)8-15(26-27)19(28)25-18-13(21)9-23-10-14(18)22/h3-10H,1-2H3,(H,23,25,28).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 411.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118562616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).