N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

C12H20N6O2S — CID 106069221

IUPACN-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C12H20N6O2S/c1-2-3-13-6-7-18-10-11(8-16-18)21(19,20)17-9-12-14-4-5-15-12/h4-5,8,10,13,17H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyGTMCHXUQMPLAJK-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.08
Rot. Bonds9

About N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106069221) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106069221
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C12H20N6O2S/c1-2-3-13-6-7-18-10-11(8-16-18)21(19,20)17-9-12-14-4-5-15-12/h4-5,8,10,13,17H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyGTMCHXUQMPLAJK-UHFFFAOYSA-N
XLogP0.08
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(propylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106013151
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106085254
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-(1H-imidazol-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106069311
N-(2-methylsulfanylethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106063821
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
CID 106378170
1-[2-(ethylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423967
N-(2-ethoxyethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106020171
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031917
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (CID 106069221) is N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is CCCNCCn1cc(S(=O)(=O)NCc2ncc[nH]2)cn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is GTMCHXUQMPLAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-2-3-13-6-7-18-10-11(8-16-18)21(19,20)17-9-12-14-4-5-15-12/h4-5,8,10,13,17H,2-3,6-7,9H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106069221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).