1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide

C15H23F2N5O2S — CID 19614973

IUPAC1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(C(C)CCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1
InChIInChI=1S/C15H23F2N5O2S/c1-9-8-11(3)21(19-9)10(2)6-7-18-25(23,24)14-12(4)20-22(13(14)5)15(16)17/h8,10,15,18H,6-7H2,1-5H3
InChIKeyQCNICCAARJIUNK-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.64
Rot. Bonds7

About 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19614973) has the molecular formula C15H23F2N5O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID19614973
Molecular FormulaC15H23F2N5O2S
Molecular Weight375.45 g/mol
Exact Mass375.15
IUPAC Name1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(C(C)CCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1
InChIInChI=1S/C15H23F2N5O2S/c1-9-8-11(3)21(19-9)10(2)6-7-18-25(23,24)14-12(4)20-22(13(14)5)15(16)17/h8,10,15,18H,6-7H2,1-5H3
InChIKeyQCNICCAARJIUNK-UHFFFAOYSA-N
XLogP2.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 19614973) is 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide is Cc1cc(C)n(C(C)CCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is QCNICCAARJIUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O2S/c1-9-8-11(3)21(19-9)10(2)6-7-18-25(23,24)14-12(4)20-22(13(14)5)15(16)17/h8,10,15,18H,6-7H2,1-5H3.
What are the key properties of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).