3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide

C11H18N6 — CID 123785832

IUPAC3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N(C)C
InChIInChI=1S/C11H18N6/c1-4-5-8-6-11(16-15-8)14-9(12)7-10(13)17(2)3/h4-6,13H,7H2,1-3H3,(H3,12,14,15,16)/b5-4+,13-10-
InChIKeyIPVLSZANSGBEMJ-ODPUXILVSA-N
MW234.31 g/mol
LogP1.36
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide

3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (PubChem CID 123785832) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
PubChem CID123785832
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N(C)C
InChIInChI=1S/C11H18N6/c1-4-5-8-6-11(16-15-8)14-9(12)7-10(13)17(2)3/h4-6,13H,7H2,1-3H3,(H3,12,14,15,16)/b5-4+,13-10-
InChIKeyIPVLSZANSGBEMJ-ODPUXILVSA-N
XLogP1.36
TPSA94.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.36
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'}

Analyze 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide 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-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The IUPAC name of 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (CID 123785832) is 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The canonical SMILES for 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is [H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N(C)C.
What is the InChIKey of 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The InChIKey is IPVLSZANSGBEMJ-ODPUXILVSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-5-8-6-11(16-15-8)14-9(12)7-10(13)17(2)3/h4-6,13H,7H2,1-3H3,(H3,12,14,15,16)/b5-4+,13-10-.
What are the key properties of 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide has a molecular weight of 234.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is sourced from PubChem (CID 123785832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).