1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide

C14H13F2N3O2 — CID 138021749

IUPAC1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)c1ccn(C(F)F)n1
InChIInChI=1S/C14H13F2N3O2/c15-13(16)19-7-6-11(18-19)12(20)17-14(8-21-9-14)10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,17,20)
InChIKeyNPTPIBMJCBABOL-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.93
Rot. Bonds4

About 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide (PubChem CID 138021749) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide
PubChem CID138021749
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)c1ccn(C(F)F)n1
InChIInChI=1S/C14H13F2N3O2/c15-13(16)19-7-6-11(18-19)12(20)17-14(8-21-9-14)10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,17,20)
InChIKeyNPTPIBMJCBABOL-UHFFFAOYSA-N
XLogP1.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide (CID 138021749) is 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide is O=C(NC1(c2ccccc2)COC1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide?
The InChIKey is NPTPIBMJCBABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c15-13(16)19-7-6-11(18-19)12(20)17-14(8-21-9-14)10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,17,20).
What are the key properties of 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide has a molecular weight of 293.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138021749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).