3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride

C10H17ClN6 — CID 87951500

IUPAC3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride
SMILESCc1nn(CCn2cc[n+](C)c2)c(N)c1N.[Cl-]
InChIInChI=1S/C10H17N6.ClH/c1-8-9(11)10(12)16(13-8)6-5-15-4-3-14(2)7-15;/h3-4,7H,5-6,11-12H2,1-2H3;1H/q+1;/p-1
InChIKeyGPOGRLCVXILXOD-UHFFFAOYSA-M
MW256.74 g/mol
LogP-3.31
Rot. Bonds3

About 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride

3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride (PubChem CID 87951500) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride
PubChem CID87951500
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride
SMILESCc1nn(CCn2cc[n+](C)c2)c(N)c1N.[Cl-]
InChIInChI=1S/C10H17N6.ClH/c1-8-9(11)10(12)16(13-8)6-5-15-4-3-14(2)7-15;/h3-4,7H,5-6,11-12H2,1-2H3;1H/q+1;/p-1
InChIKeyGPOGRLCVXILXOD-UHFFFAOYSA-M
XLogP-3.31
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 5-3.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride 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

3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 71685845
1-ethyl-3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}pyrazol-4-amine
CID 25248658
1-Ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-4-amine
CID 25248659
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193829
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1H-pyrazol-4-amine
CID 45602110
(1S)-1-(1-methylimidazol-2-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]butan-1-amine
CID 52387428
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide
CID 75433248
N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 75509092
1-[2-(Dimethylsulfamoylamino)ethyl]-6-methylimidazo[1,2-b]pyrazole
CID 91629249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride?
The IUPAC name of 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride (CID 87951500) is 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride.
What is the SMILES notation for 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride?
The canonical SMILES for 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride is Cc1nn(CCn2cc[n+](C)c2)c(N)c1N.[Cl-].
What is the InChIKey of 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride?
The InChIKey is GPOGRLCVXILXOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17N6.ClH/c1-8-9(11)10(12)16(13-8)6-5-15-4-3-14(2)7-15;/h3-4,7H,5-6,11-12H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride?
3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride has a molecular weight of 256.74 g/mol, XLogP of -3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazole-4,5-diamine chloride is sourced from PubChem (CID 87951500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).