N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

C12H19N5O2S — CID 22209589

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(CNS(=O)(=O)c2cnn(C)c2C)c(C)n1
InChIInChI=1S/C12H19N5O2S/c1-5-17-8-11(9(2)15-17)6-14-20(18,19)12-7-13-16(4)10(12)3/h7-8,14H,5-6H2,1-4H3
InChIKeyKYOQCNAEIDTHOG-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.73
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22209589) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22209589
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(CNS(=O)(=O)c2cnn(C)c2C)c(C)n1
InChIInChI=1S/C12H19N5O2S/c1-5-17-8-11(9(2)15-17)6-14-20(18,19)12-7-13-16(4)10(12)3/h7-8,14H,5-6H2,1-4H3
InChIKeyKYOQCNAEIDTHOG-UHFFFAOYSA-N
XLogP0.73
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
2,4,5-trichloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209591
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209576
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22206025
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
CID 22209538
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209573
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 95756264

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 22209589) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide is CCn1cc(CNS(=O)(=O)c2cnn(C)c2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is KYOQCNAEIDTHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-5-17-8-11(9(2)15-17)6-14-20(18,19)12-7-13-16(4)10(12)3/h7-8,14H,5-6H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22209589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).