(1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite

C58H45Cl3F7N9O3S — CID 158925005

IUPAC(1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite
SMILESCSF.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)C1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)[C@@]1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)[C@]1(c2ccccc2)CC1(F)F
InChIInChI=1S/3C19H14ClF2N3O.CH3FS/c3*20-14-7-4-8-15(11-14)25-10-9-16(24-25)23-17(26)18(12-19(18,21)22)13-5-2-1-3-6-13;1-3-2/h3*1-11H,12H2,(H,23,24,26);1H3/t2*18-;;/m10../s1
InChIKeyJIIBVTJMEZBOED-PNEGYFAFSA-N
MW1187.47 g/mol
LogP14.56
Rot. Bonds12

About (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite

(1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite (PubChem CID 158925005) has the molecular formula C58H45Cl3F7N9O3S and a molecular weight of 1187.47 g/mol. Its IUPAC name is (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite.

Molecular Properties

Compound Name(1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite
PubChem CID158925005
Molecular FormulaC58H45Cl3F7N9O3S
Molecular Weight1187.47 g/mol
Exact Mass1185.23
IUPAC Name(1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite
SMILESCSF.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)C1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)[C@@]1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)[C@]1(c2ccccc2)CC1(F)F
InChIInChI=1S/3C19H14ClF2N3O.CH3FS/c3*20-14-7-4-8-15(11-14)25-10-9-16(24-25)23-17(26)18(12-19(18,21)22)13-5-2-1-3-6-13;1-3-2/h3*1-11H,12H2,(H,23,24,26);1H3/t2*18-;;/m10../s1
InChIKeyJIIBVTJMEZBOED-PNEGYFAFSA-N
XLogP14.56
TPSA140.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.47
LogP ≤ 514.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite?
The IUPAC name of (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite (CID 158925005) is (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite.
What is the SMILES notation for (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite?
The canonical SMILES for (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite is CSF.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)C1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)[C@@]1(c2ccccc2)CC1(F)F.O=C(Nc1ccn(-c2cccc(Cl)c2)n1)[C@]1(c2ccccc2)CC1(F)F.
What is the InChIKey of (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite?
The InChIKey is JIIBVTJMEZBOED-PNEGYFAFSA-N. The full InChI is InChI=1S/3C19H14ClF2N3O.CH3FS/c3*20-14-7-4-8-15(11-14)25-10-9-16(24-25)23-17(26)18(12-19(18,21)22)13-5-2-1-3-6-13;1-3-2/h3*1-11H,12H2,(H,23,24,26);1H3/t2*18-;;/m10../s1.
What are the key properties of (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite?
(1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite has a molecular weight of 1187.47 g/mol, XLogP of 14.56, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;(1R)-N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2-difluoro-1-phenylcyclopropane-1-carboxamide;methyl thiohypofluorite is sourced from PubChem (CID 158925005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).