N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

C12H20N6O2S — CID 106083463

IUPACN-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1n[nH]c(C)c1CNC)c1ncc[nH]1
InChIInChI=1S/C12H20N6O2S/c1-4-10(11-14-5-6-15-11)18-21(19,20)12-9(7-13-3)8(2)16-17-12/h5-6,10,13,18H,4,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyCWAFBBFAQQCNBL-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.59
Rot. Bonds7

About N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106083463) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106083463
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1n[nH]c(C)c1CNC)c1ncc[nH]1
InChIInChI=1S/C12H20N6O2S/c1-4-10(11-14-5-6-15-11)18-21(19,20)12-9(7-13-3)8(2)16-17-12/h5-6,10,13,18H,4,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyCWAFBBFAQQCNBL-UHFFFAOYSA-N
XLogP0.59
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 114142069
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018854
2-(aminomethyl)-5-fluoro-N-[1-(1H-imidazol-2-yl)propyl]benzenesulfonamide
CID 106083462
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106066522
N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070808
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106082971
N-hexan-3-yl-5-methyl-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106055423

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (CID 106083463) is N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is CCC(NS(=O)(=O)c1n[nH]c(C)c1CNC)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is CWAFBBFAQQCNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-4-10(11-14-5-6-15-11)18-21(19,20)12-9(7-13-3)8(2)16-17-12/h5-6,10,13,18H,4,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)propyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106083463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).