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

C8H12N4 — CID 63177899

IUPACN'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide
SMILESN/C(=N\Cc1cn[nH]c1)C1CC1
InChIInChI=1S/C8H12N4/c9-8(7-1-2-7)10-3-6-4-11-12-5-6/h4-5,7H,1-3H2,(H2,9,10)(H,11,12)
InChIKeyDOGIBDWEJYPHCQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.68
Rot. Bonds3

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

N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide (PubChem CID 63177899) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide
PubChem CID63177899
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide
SMILESN/C(=N\Cc1cn[nH]c1)C1CC1
InChIInChI=1S/C8H12N4/c9-8(7-1-2-7)10-3-6-4-11-12-5-6/h4-5,7H,1-3H2,(H2,9,10)(H,11,12)
InChIKeyDOGIBDWEJYPHCQ-UHFFFAOYSA-N
XLogP0.68
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.68
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide (CID 63177899) is N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide is N/C(=N\Cc1cn[nH]c1)C1CC1.
What is the InChIKey of N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide?
The InChIKey is DOGIBDWEJYPHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-8(7-1-2-7)10-3-6-4-11-12-5-6/h4-5,7H,1-3H2,(H2,9,10)(H,11,12).
What are the key properties of N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide?
N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide has a molecular weight of 164.21 g/mol, XLogP of 0.68, 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)cyclopropanecarboximidamide is sourced from PubChem (CID 63177899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).