N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide

C12H16ClF2N5O2S — CID 19614382

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H16ClF2N5O2S/c1-4-19-10(9(13)5-16-19)7-18(3)23(21,22)11-6-17-20(8(11)2)12(14)15/h5-6,12H,4,7H2,1-3H3
InChIKeyMAAJHMGYKOJZDA-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.28
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19614382) has the molecular formula C12H16ClF2N5O2S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID19614382
Molecular FormulaC12H16ClF2N5O2S
Molecular Weight367.81 g/mol
Exact Mass367.07
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H16ClF2N5O2S/c1-4-19-10(9(13)5-16-19)7-18(3)23(21,22)11-6-17-20(8(11)2)12(14)15/h5-6,12H,4,7H2,1-3H3
InChIKeyMAAJHMGYKOJZDA-UHFFFAOYSA-N
XLogP2.28
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19614898
N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19615053
N-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)methyl]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide
CID 19582889
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)pyrazole-4-sulfonamide
CID 51853600
1-Methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole
CID 10708091
1-(difluoromethyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576557
1-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576580
1-(difluoromethyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576590
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576599
N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576632
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089487
1-(difluoromethyl)-N,3-dimethyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 29089839

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide (CID 19614382) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide is CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is MAAJHMGYKOJZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N5O2S/c1-4-19-10(9(13)5-16-19)7-18(3)23(21,22)11-6-17-20(8(11)2)12(14)15/h5-6,12H,4,7H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 367.81 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).