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

C12H20N6O2S — CID 106094973

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C12H20N6O2S/c1-4-13-5-11-6-14-17-12(11)21(19,20)16-8-10-7-15-18(3)9(10)2/h6-7,13,16H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyWINJMDWGQJBDQD-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.04
Rot. Bonds7

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106094973) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106094973
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C12H20N6O2S/c1-4-13-5-11-6-14-17-12(11)21(19,20)16-8-10-7-15-18(3)9(10)2/h6-7,13,16H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyWINJMDWGQJBDQD-UHFFFAOYSA-N
XLogP0.04
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106094931
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106018754
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106094973) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WINJMDWGQJBDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-4-13-5-11-6-14-17-12(11)21(19,20)16-8-10-7-15-18(3)9(10)2/h6-7,13,16H,4-5,8H2,1-3H3,(H,14,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106094973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).