N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide

C11H12N4 — CID 63177958

IUPACN'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C11H12N4/c12-11(10-4-2-1-3-5-10)13-6-9-7-14-15-8-9/h1-5,7-8H,6H2,(H2,12,13)(H,14,15)
InChIKeyBTPWRKFHPFYCKC-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.32
Rot. Bonds3

About N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide

N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide (PubChem CID 63177958) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
PubChem CID63177958
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C11H12N4/c12-11(10-4-2-1-3-5-10)13-6-9-7-14-15-8-9/h1-5,7-8H,6H2,(H2,12,13)(H,14,15)
InChIKeyBTPWRKFHPFYCKC-UHFFFAOYSA-N
XLogP1.32
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide (CID 63177958) is N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide is N/C(=N\Cc1cn[nH]c1)c1ccccc1.
What is the InChIKey of N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide?
The InChIKey is BTPWRKFHPFYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-11(10-4-2-1-3-5-10)13-6-9-7-14-15-8-9/h1-5,7-8H,6H2,(H2,12,13)(H,14,15).
What are the key properties of N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide?
N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide has a molecular weight of 200.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 63177958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).