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

C9H14N6 — CID 123762554

IUPAC3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILES[H]/N=C(\N)C/C(N)=N/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C9H14N6/c1-2-3-6-4-9(15-14-6)13-8(12)5-7(10)11/h2-4H,5H2,1H3,(H3,10,11)(H3,12,13,14,15)/b3-2+
InChIKeyUEEGDAOMLQBKBE-NSCUHMNNSA-N
MW206.25 g/mol
LogP0.76
Rot. Bonds4

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

3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (PubChem CID 123762554) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.

Molecular Properties

Compound Name3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
PubChem CID123762554
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILES[H]/N=C(\N)C/C(N)=N/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C9H14N6/c1-2-3-6-4-9(15-14-6)13-8(12)5-7(10)11/h2-4H,5H2,1H3,(H3,10,11)(H3,12,13,14,15)/b3-2+
InChIKeyUEEGDAOMLQBKBE-NSCUHMNNSA-N
XLogP0.76
TPSA116.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.76
H-Bond Donors ≤ 54
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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Related Compounds

3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123856406
3-(4-fluoropiperidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123901834
3-amino-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-enimidamide
CID 148391769
N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
CID 10511594
N'-(5-Ethyl-1H-pyrazol-3-yl)acetimidamide
CID 10558800
N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 10702003
N'-(5-propyl-1H-pyrazol-3-yl)ethanimidamide
CID 10749584
N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide
CID 10820960
N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
CID 10844796
N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide
CID 13627492
N-(5-methyl-1H-pyrazol-3-yl)propan-2-imine
CID 18730438
N-(5-Methyl-1H-pyrazol-3-yl)propionamidine hydrochloride
CID 19002128

Frequently Asked Questions

What is the IUPAC name of 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The IUPAC name of 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (CID 123762554) is 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.
What is the SMILES notation for 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The canonical SMILES for 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is [H]/N=C(\N)C/C(N)=N/c1cc(/C=C/C)[nH]n1.
What is the InChIKey of 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The InChIKey is UEEGDAOMLQBKBE-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14N6/c1-2-3-6-4-9(15-14-6)13-8(12)5-7(10)11/h2-4H,5H2,1H3,(H3,10,11)(H3,12,13,14,15)/b3-2+.
What are the key properties of 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide has a molecular weight of 206.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is sourced from PubChem (CID 123762554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).