N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

C7H12F2N4O2S — CID 19621228

IUPACN-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCN)cnn1C(F)F
InChIInChI=1S/C7H12F2N4O2S/c1-5-6(4-11-13(5)7(8)9)16(14,15)12-3-2-10/h4,7,12H,2-3,10H2,1H3
InChIKeyGVPCQBSAUVXDSU-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.18
Rot. Bonds5

About N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (PubChem CID 19621228) has the molecular formula C7H12F2N4O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
PubChem CID19621228
Molecular FormulaC7H12F2N4O2S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC NameN-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCN)cnn1C(F)F
InChIInChI=1S/C7H12F2N4O2S/c1-5-6(4-11-13(5)7(8)9)16(14,15)12-3-2-10/h4,7,12H,2-3,10H2,1H3
InChIKeyGVPCQBSAUVXDSU-UHFFFAOYSA-N
XLogP-0.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
CID 19614442
1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
CID 177135675
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
CID 165460480
1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 19614603
1-(difluoromethyl)-5-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 19614992
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 46268338
1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide
CID 46972192
1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide
CID 53092652
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
1-(difluoromethyl)-5-methylpyrazol-4-amine;hydrochloride
CID 90482906
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86814122

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (CID 19621228) is N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCN)cnn1C(F)F.
What is the InChIKey of N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The InChIKey is GVPCQBSAUVXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2S/c1-5-6(4-11-13(5)7(8)9)16(14,15)12-3-2-10/h4,7,12H,2-3,10H2,1H3.
What are the key properties of N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19621228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).