(1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite

C55H45F7N12O3S — CID 161073316

IUPAC(1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite
SMILESCSF.O=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2ccncc2)n1)[C@@]1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2ccncc2)n1)[C@]1(c2ccccc2)CC1(F)F
InChIInChI=1S/3C18H14F2N4O.CH3FS/c3*19-18(20)12-17(18,13-4-2-1-3-5-13)16(25)22-15-8-11-24(23-15)14-6-9-21-10-7-14;1-3-2/h3*1-11H,12H2,(H,22,23,25);1H3/t2*17-;;/m10../s1
InChIKeyUEYCMMAGFHYSJV-LEFSJLFRSA-N
MW1087.10 g/mol
LogP10.78
Rot. Bonds12

About (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite

(1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite (PubChem CID 161073316) has the molecular formula C55H45F7N12O3S and a molecular weight of 1087.10 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite
PubChem CID161073316
Molecular FormulaC55H45F7N12O3S
Molecular Weight1087.10 g/mol
Exact Mass1086.33
IUPAC Name(1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite
SMILESCSF.O=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2ccncc2)n1)[C@@]1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2ccncc2)n1)[C@]1(c2ccccc2)CC1(F)F
InChIInChI=1S/3C18H14F2N4O.CH3FS/c3*19-18(20)12-17(18,13-4-2-1-3-5-13)16(25)22-15-8-11-24(23-15)14-6-9-21-10-7-14;1-3-2/h3*1-11H,12H2,(H,22,23,25);1H3/t2*17-;;/m10../s1
InChIKeyUEYCMMAGFHYSJV-LEFSJLFRSA-N
XLogP10.78
TPSA179.43 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.10
LogP ≤ 510.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite?
The IUPAC name of (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite (CID 161073316) is (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite.
What is the SMILES notation for (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite?
The canonical SMILES for (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite is CSF.O=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2ccncc2)n1)[C@@]1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2ccncc2)n1)[C@]1(c2ccccc2)CC1(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite?
The InChIKey is UEYCMMAGFHYSJV-LEFSJLFRSA-N. The full InChI is InChI=1S/3C18H14F2N4O.CH3FS/c3*19-18(20)12-17(18,13-4-2-1-3-5-13)16(25)22-15-8-11-24(23-15)14-6-9-21-10-7-14;1-3-2/h3*1-11H,12H2,(H,22,23,25);1H3/t2*17-;;/m10../s1.
What are the key properties of (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite?
(1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite has a molecular weight of 1087.10 g/mol, XLogP of 10.78, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;(1R)-2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;2,2-difluoro-1-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide;methyl thiohypofluorite is sourced from PubChem (CID 161073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).