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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19582943
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 51853642
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51853456
4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine
CID 62448526
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide
CID 51597908
1-(difluoromethyl)-3,5-dimethyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]pyrazole-4-sulfonamide
CID 46972371
1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 51597914
N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 51853446
3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 131889585
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 17022683
1-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 19581972
N,N-dibenzyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19614787

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).