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

C13H19N5 — CID 123731966

IUPAC3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)C1CCC1
InChIInChI=1S/C13H19N5/c14-10(8-2-1-3-8)6-12(15)16-13-7-11(17-18-13)9-4-5-9/h7-9,14H,1-6H2,(H3,15,16,17,18)/b14-10-
InChIKeyRDQHFXVEHMPENN-UVTDQMKNSA-N
MW245.33 g/mol
LogP2.49
Rot. Bonds5

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

3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide (PubChem CID 123731966) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide.

Molecular Properties

Compound Name3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
PubChem CID123731966
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)C1CCC1
InChIInChI=1S/C13H19N5/c14-10(8-2-1-3-8)6-12(15)16-13-7-11(17-18-13)9-4-5-9/h7-9,14H,1-6H2,(H3,15,16,17,18)/b14-10-
InChIKeyRDQHFXVEHMPENN-UVTDQMKNSA-N
XLogP2.49
TPSA90.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.49
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 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
The IUPAC name of 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide (CID 123731966) is 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide.
What is the SMILES notation for 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
The canonical SMILES for 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide is [H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)C1CCC1.
What is the InChIKey of 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
The InChIKey is RDQHFXVEHMPENN-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H19N5/c14-10(8-2-1-3-8)6-12(15)16-13-7-11(17-18-13)9-4-5-9/h7-9,14H,1-6H2,(H3,15,16,17,18)/b14-10-.
What are the key properties of 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide?
3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide has a molecular weight of 245.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide is sourced from PubChem (CID 123731966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).