N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide

C12H20N6O2S — CID 106086042

IUPACN-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)Nc2cn(C)nc2C)n[nH]c1C
InChIInChI=1S/C12H20N6O2S/c1-5-13-6-10-8(2)14-15-12(10)21(19,20)17-11-7-18(4)16-9(11)3/h7,13,17H,5-6H2,1-4H3,(H,14,15)
InChIKeyDZFOFKHFUDBXDY-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.67
Rot. Bonds6

About N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide

N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106086042) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106086042
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)Nc2cn(C)nc2C)n[nH]c1C
InChIInChI=1S/C12H20N6O2S/c1-5-13-6-10-8(2)14-15-12(10)21(19,20)17-11-7-18(4)16-9(11)3/h7,13,17H,5-6H2,1-4H3,(H,14,15)
InChIKeyDZFOFKHFUDBXDY-UHFFFAOYSA-N
XLogP0.67
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
CID 102806229
N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106020549
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018854
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106073747
4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106090329
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106411271

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106086042) is N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide is CCNCc1c(S(=O)(=O)Nc2cn(C)nc2C)n[nH]c1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is DZFOFKHFUDBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-5-13-6-10-8(2)14-15-12(10)21(19,20)17-11-7-18(4)16-9(11)3/h7,13,17H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106086042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).