3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C14H22N6O — CID 123232415

IUPAC3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(OC)C1
InChIInChI=1S/C14H22N6O/c1-3-4-10-7-14(19-18-10)17-12(15)8-13(16)20-6-5-11(9-20)21-2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H3,15,17,18,19)/b4-3+,16-13-
InChIKeyFVINQUZBRCTGFI-MPQQZPFTSA-N
MW290.37 g/mol
LogP1.52
Rot. Bonds5

About 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123232415) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123232415
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(OC)C1
InChIInChI=1S/C14H22N6O/c1-3-4-10-7-14(19-18-10)17-12(15)8-13(16)20-6-5-11(9-20)21-2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H3,15,17,18,19)/b4-3+,16-13-
InChIKeyFVINQUZBRCTGFI-MPQQZPFTSA-N
XLogP1.52
TPSA103.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide 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 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123232415) is 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is [H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(OC)C1.
What is the InChIKey of 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is FVINQUZBRCTGFI-MPQQZPFTSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-4-10-7-14(19-18-10)17-12(15)8-13(16)20-6-5-11(9-20)21-2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H3,15,17,18,19)/b4-3+,16-13-.
What are the key properties of 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 290.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123232415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).