N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide

C11H17N5 — CID 123298373

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide
SMILES[H]/N=C(\CC)C/C(N)=N/c1cc(C2CC2)[nH]n1
InChIInChI=1S/C11H17N5/c1-2-8(12)5-10(13)14-11-6-9(15-16-11)7-3-4-7/h6-7,12H,2-5H2,1H3,(H3,13,14,15,16)/b12-8+
InChIKeySXUQALOTRVHSLI-XYOKQWHBSA-N
MW219.29 g/mol
LogP2.10
Rot. Bonds5

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide (PubChem CID 123298373) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide
PubChem CID123298373
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide
SMILES[H]/N=C(\CC)C/C(N)=N/c1cc(C2CC2)[nH]n1
InChIInChI=1S/C11H17N5/c1-2-8(12)5-10(13)14-11-6-9(15-16-11)7-3-4-7/h6-7,12H,2-5H2,1H3,(H3,13,14,15,16)/b12-8+
InChIKeySXUQALOTRVHSLI-XYOKQWHBSA-N
XLogP2.10
TPSA90.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.10
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 N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide (CID 123298373) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide is [H]/N=C(\CC)C/C(N)=N/c1cc(C2CC2)[nH]n1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide?
The InChIKey is SXUQALOTRVHSLI-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-8(12)5-10(13)14-11-6-9(15-16-11)7-3-4-7/h6-7,12H,2-5H2,1H3,(H3,13,14,15,16)/b12-8+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide has a molecular weight of 219.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide is sourced from PubChem (CID 123298373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).