1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine

C12H15N7 — CID 168605760

IUPAC1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1Cn1cccn1
InChIInChI=1S/C12H15N7/c13-11(14)18-12(15)17-10-5-2-1-4-9(10)8-19-7-3-6-16-19/h1-7H,8H2,(H6,13,14,15,17,18)
InChIKeyMGCZNIQKGXLRKK-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.15
Rot. Bonds3

About 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine (PubChem CID 168605760) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine
PubChem CID168605760
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1Cn1cccn1
InChIInChI=1S/C12H15N7/c13-11(14)18-12(15)17-10-5-2-1-4-9(10)8-19-7-3-6-16-19/h1-7H,8H2,(H6,13,14,15,17,18)
InChIKeyMGCZNIQKGXLRKK-UHFFFAOYSA-N
XLogP0.15
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
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-[2-(pyrazol-1-ylmethyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine (CID 168605760) is 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccccc1Cn1cccn1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine?
The InChIKey is MGCZNIQKGXLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c13-11(14)18-12(15)17-10-5-2-1-4-9(10)8-19-7-3-6-16-19/h1-7H,8H2,(H6,13,14,15,17,18).
What are the key properties of 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine has a molecular weight of 257.30 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine is sourced from PubChem (CID 168605760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).