1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride

C9H11ClN7S- — CID 45108876

IUPAC1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride
SMILESNC(N)=N/C(N)=N/c1cc(-c2cccs2)[nH]n1.[Cl-]
InChIInChI=1S/C9H11N7S.ClH/c10-8(11)14-9(12)13-7-4-5(15-16-7)6-2-1-3-17-6;/h1-4H,(H7,10,11,12,13,14,15,16);1H/p-1
InChIKeyZJMFWNCWALOMNZ-UHFFFAOYSA-M
MW284.76 g/mol
LogP-2.64
Rot. Bonds2

About 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride

1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride (PubChem CID 45108876) has the molecular formula C9H11ClN7S- and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride
PubChem CID45108876
Molecular FormulaC9H11ClN7S-
Molecular Weight284.76 g/mol
Exact Mass284.05
IUPAC Name1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride
SMILESNC(N)=N/C(N)=N/c1cc(-c2cccs2)[nH]n1.[Cl-]
InChIInChI=1S/C9H11N7S.ClH/c10-8(11)14-9(12)13-7-4-5(15-16-7)6-2-1-3-17-6;/h1-4H,(H7,10,11,12,13,14,15,16);1H/p-1
InChIKeyZJMFWNCWALOMNZ-UHFFFAOYSA-M
XLogP-2.64
TPSA131.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 5-2.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 523184
5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
CID 612732
3-Methyl-5-(2-thienyl)-1h-pyrazole
CID 737750
4-Methyl-5-(2-thienyl)-1H-pyrazol-3-amine
CID 3159690
5-(5-Bromo-2-thienyl)-1H-pyrazol-3-amine
CID 3548292
Pyridazine, 3-hydrazino-6-(2-thienyl)-
CID 3058916
3-methyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 3815550
3-ethyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16653076
3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 24710268
5-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2H-tetrazole
CID 44401911
3-(5-methylthiophen-2-yl)-1H-pyrazol-5-amine
CID 3837601

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride?
The IUPAC name of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride (CID 45108876) is 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride is NC(N)=N/C(N)=N/c1cc(-c2cccs2)[nH]n1.[Cl-].
What is the InChIKey of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride?
The InChIKey is ZJMFWNCWALOMNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11N7S.ClH/c10-8(11)14-9(12)13-7-4-5(15-16-7)6-2-1-3-17-6;/h1-4H,(H7,10,11,12,13,14,15,16);1H/p-1.
What are the key properties of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride?
1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride has a molecular weight of 284.76 g/mol, XLogP of -2.64, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine chloride is sourced from PubChem (CID 45108876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).