N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide

C11H13N5 — CID 10085485

IUPACN'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide
SMILESNCc1cccc(/N=C(\N)n2cccn2)c1
InChIInChI=1S/C11H13N5/c12-8-9-3-1-4-10(7-9)15-11(13)16-6-2-5-14-16/h1-7H,8,12H2,(H2,13,15)
InChIKeyQJNWAWJZLMGABK-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.84
Rot. Bonds2

About N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide

N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide (PubChem CID 10085485) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide
PubChem CID10085485
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide
SMILESNCc1cccc(/N=C(\N)n2cccn2)c1
InChIInChI=1S/C11H13N5/c12-8-9-3-1-4-10(7-9)15-11(13)16-6-2-5-14-16/h1-7H,8,12H2,(H2,13,15)
InChIKeyQJNWAWJZLMGABK-UHFFFAOYSA-N
XLogP0.84
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide?
The IUPAC name of N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide (CID 10085485) is N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide.
What is the SMILES notation for N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide?
The canonical SMILES for N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide is NCc1cccc(/N=C(\N)n2cccn2)c1.
What is the InChIKey of N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide?
The InChIKey is QJNWAWJZLMGABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-8-9-3-1-4-10(7-9)15-11(13)16-6-2-5-14-16/h1-7H,8,12H2,(H2,13,15).
What are the key properties of N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide?
N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide has a molecular weight of 215.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)phenyl]pyrazole-1-carboximidamide is sourced from PubChem (CID 10085485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).