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

C9H11N7S — CID 2730323

IUPAC1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C9H11N7S/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)
InChIKeyCIZJPNLQPWQTLG-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.36
Rot. Bonds2

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

1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine (PubChem CID 2730323) has the molecular formula C9H11N7S and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine
PubChem CID2730323
Molecular FormulaC9H11N7S
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C9H11N7S/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)
InChIKeyCIZJPNLQPWQTLG-UHFFFAOYSA-N
XLogP0.36
TPSA131.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.36
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine (CID 2730323) is 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine is NC(N)=N/C(N)=N/c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine?
The InChIKey is CIZJPNLQPWQTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7S/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).
What are the key properties of 1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine?
1-(diaminomethylidene)-2-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine has a molecular weight of 249.30 g/mol, XLogP of 0.36, 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 is sourced from PubChem (CID 2730323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).