N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C24H21F2N3O3 — CID 95782218

IUPACN-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC[C@H](CO)Cc1cc(F)ccc1F)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H21F2N3O3/c25-18-8-9-20(26)17(12-18)11-16(15-30)14-27-24(31)22-13-21(23-7-4-10-32-23)28-29(22)19-5-2-1-3-6-19/h1-10,12-13,16,30H,11,14-15H2,(H,27,31)/t16-/m1/s1
InChIKeySIHQEWZETPVNNQ-MRXNPFEDSA-N
MW437.45 g/mol
LogP3.99
Rot. Bonds8

About N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 95782218) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID95782218
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC[C@H](CO)Cc1cc(F)ccc1F)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H21F2N3O3/c25-18-8-9-20(26)17(12-18)11-16(15-30)14-27-24(31)22-13-21(23-7-4-10-32-23)28-29(22)19-5-2-1-3-6-19/h1-10,12-13,16,30H,11,14-15H2,(H,27,31)/t16-/m1/s1
InChIKeySIHQEWZETPVNNQ-MRXNPFEDSA-N
XLogP3.99
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55663154
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 95782203
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
CID 55720293
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 24583888
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 95782218) is N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is O=C(NC[C@H](CO)Cc1cc(F)ccc1F)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is SIHQEWZETPVNNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c25-18-8-9-20(26)17(12-18)11-16(15-30)14-27-24(31)22-13-21(23-7-4-10-32-23)28-29(22)19-5-2-1-3-6-19/h1-10,12-13,16,30H,11,14-15H2,(H,27,31)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 95782218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).