1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

C14H21F2N5O2S — CID 51853642

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@H](C)Cn1nccc1C
InChIInChI=1S/C14H21F2N5O2S/c1-9(8-20-10(2)5-6-17-20)7-18-24(22,23)13-11(3)19-21(12(13)4)14(15)16/h5-6,9,14,18H,7-8H2,1-4H3/t9-/m0/s1
InChIKeyYRQOZMKZYJIPHL-VIFPVBQESA-N
MW361.42 g/mol
LogP2.01
Rot. Bonds7

About 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (PubChem CID 51853642) has the molecular formula C14H21F2N5O2S and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
PubChem CID51853642
Molecular FormulaC14H21F2N5O2S
Molecular Weight361.42 g/mol
Exact Mass361.14
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@H](C)Cn1nccc1C
InChIInChI=1S/C14H21F2N5O2S/c1-9(8-20-10(2)5-6-17-20)7-18-24(22,23)13-11(3)19-21(12(13)4)14(15)16/h5-6,9,14,18H,7-8H2,1-4H3/t9-/m0/s1
InChIKeyYRQOZMKZYJIPHL-VIFPVBQESA-N
XLogP2.01
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (CID 51853642) is 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@H](C)Cn1nccc1C.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The InChIKey is YRQOZMKZYJIPHL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21F2N5O2S/c1-9(8-20-10(2)5-6-17-20)7-18-24(22,23)13-11(3)19-21(12(13)4)14(15)16/h5-6,9,14,18H,7-8H2,1-4H3/t9-/m0/s1.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51853642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).