N-(1-aminopropylidene)pyrazole-1-carboximidamide

C7H11N5 — CID 102368487

IUPACN-(1-aminopropylidene)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N=C(N)CC)n1cccn1
InChIInChI=1S/C7H11N5/c1-2-6(8)11-7(9)12-5-3-4-10-12/h3-5H,2H2,1H3,(H3,8,9,11)
InChIKeyRCVRGRYVULPFMK-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.43
Rot. Bonds1

About N-(1-aminopropylidene)pyrazole-1-carboximidamide

N-(1-aminopropylidene)pyrazole-1-carboximidamide (PubChem CID 102368487) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is N-(1-aminopropylidene)pyrazole-1-carboximidamide.

Molecular Properties

Compound NameN-(1-aminopropylidene)pyrazole-1-carboximidamide
PubChem CID102368487
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC NameN-(1-aminopropylidene)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N=C(N)CC)n1cccn1
InChIInChI=1S/C7H11N5/c1-2-6(8)11-7(9)12-5-3-4-10-12/h3-5H,2H2,1H3,(H3,8,9,11)
InChIKeyRCVRGRYVULPFMK-UHFFFAOYSA-N
XLogP0.43
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
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 N-(1-aminopropylidene)pyrazole-1-carboximidamide?
The IUPAC name of N-(1-aminopropylidene)pyrazole-1-carboximidamide (CID 102368487) is N-(1-aminopropylidene)pyrazole-1-carboximidamide.
What is the SMILES notation for N-(1-aminopropylidene)pyrazole-1-carboximidamide?
The canonical SMILES for N-(1-aminopropylidene)pyrazole-1-carboximidamide is [H]/N=C(\N=C(N)CC)n1cccn1.
What is the InChIKey of N-(1-aminopropylidene)pyrazole-1-carboximidamide?
The InChIKey is RCVRGRYVULPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-2-6(8)11-7(9)12-5-3-4-10-12/h3-5H,2H2,1H3,(H3,8,9,11).
What are the key properties of N-(1-aminopropylidene)pyrazole-1-carboximidamide?
N-(1-aminopropylidene)pyrazole-1-carboximidamide has a molecular weight of 165.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)pyrazole-1-carboximidamide is sourced from PubChem (CID 102368487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).