5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide

C14H15F2N3O3S — CID 125447012

IUPAC5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H15F2N3O3S/c1-8(9-3-5-10(6-4-9)23(2,21)22)17-14(20)12-7-11(13(15)16)18-19-12/h3-8,13H,1-2H3,(H,17,20)(H,18,19)/t8-/m0/s1
InChIKeyHIIYSLSYZCFVOG-QMMMGPOBSA-N
MW343.36 g/mol
LogP2.24
Rot. Bonds5

About 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 125447012) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID125447012
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC Name5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H15F2N3O3S/c1-8(9-3-5-10(6-4-9)23(2,21)22)17-14(20)12-7-11(13(15)16)18-19-12/h3-8,13H,1-2H3,(H,17,20)(H,18,19)/t8-/m0/s1
InChIKeyHIIYSLSYZCFVOG-QMMMGPOBSA-N
XLogP2.24
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
1-tert-butyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47046888
N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732641
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95138912
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 47161141
6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55555964
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508898

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide (CID 125447012) is 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide is C[C@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HIIYSLSYZCFVOG-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c1-8(9-3-5-10(6-4-9)23(2,21)22)17-14(20)12-7-11(13(15)16)18-19-12/h3-8,13H,1-2H3,(H,17,20)(H,18,19)/t8-/m0/s1.
What are the key properties of 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125447012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).