5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide

C18H17F2N3O2 — CID 126449598

IUPAC5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC[C@H](c1ccccc1)c1ccco1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C18H17F2N3O2/c19-17(20)14-11-15(23-22-14)18(24)21-9-8-13(16-7-4-10-25-16)12-5-2-1-3-6-12/h1-7,10-11,13,17H,8-9H2,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyWNIORIMURQTRFS-CYBMUJFWSA-N
MW345.35 g/mol
LogP3.89
Rot. Bonds7

About 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide (PubChem CID 126449598) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
PubChem CID126449598
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC[C@H](c1ccccc1)c1ccco1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C18H17F2N3O2/c19-17(20)14-11-15(23-22-14)18(24)21-9-8-13(16-7-4-10-25-16)12-5-2-1-3-6-12/h1-7,10-11,13,17H,8-9H2,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyWNIORIMURQTRFS-CYBMUJFWSA-N
XLogP3.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449599
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70742905
N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96572832
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97120628
1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
CID 25453971
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121495779
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide (CID 126449598) is 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide is O=C(NCC[C@H](c1ccccc1)c1ccco1)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WNIORIMURQTRFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-17(20)14-11-15(23-22-14)18(24)21-9-8-13(16-7-4-10-25-16)12-5-2-1-3-6-12/h1-7,10-11,13,17H,8-9H2,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126449598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).