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

C11H17N5 — CID 123862935

IUPAC3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide
SMILES[H]/N=C(\CC)C/C(N)=N/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C11H17N5/c1-3-5-9-7-11(16-15-9)14-10(13)6-8(12)4-2/h3,5,7,12H,4,6H2,1-2H3,(H3,13,14,15,16)/b5-3+,12-8+
InChIKeyPPKUFNLZIJSNFM-QVXVZRKHSA-N
MW219.29 g/mol
LogP2.25
Rot. Bonds5

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

3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide (PubChem CID 123862935) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide.

Molecular Properties

Compound Name3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide
PubChem CID123862935
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide
SMILES[H]/N=C(\CC)C/C(N)=N/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C11H17N5/c1-3-5-9-7-11(16-15-9)14-10(13)6-8(12)4-2/h3,5,7,12H,4,6H2,1-2H3,(H3,13,14,15,16)/b5-3+,12-8+
InChIKeyPPKUFNLZIJSNFM-QVXVZRKHSA-N
XLogP2.25
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 ≤ 52.25
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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Related Compounds

3-(4-fluoropiperidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123901834
N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
CID 10511594
N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide
CID 10535830
N'-(5-Ethyl-1H-pyrazol-3-yl)acetimidamide
CID 10558800
N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide
CID 10654969
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)-N-hydroxybutanimidamide
CID 10797953
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-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
CID 19002142

Frequently Asked Questions

What is the IUPAC name of 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide?
The IUPAC name of 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide (CID 123862935) is 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide.
What is the SMILES notation for 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide?
The canonical SMILES for 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide is [H]/N=C(\CC)C/C(N)=N/c1cc(/C=C/C)[nH]n1.
What is the InChIKey of 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide?
The InChIKey is PPKUFNLZIJSNFM-QVXVZRKHSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-5-9-7-11(16-15-9)14-10(13)6-8(12)4-2/h3,5,7,12H,4,6H2,1-2H3,(H3,13,14,15,16)/b5-3+,12-8+.
What are the key properties of 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide?
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide has a molecular weight of 219.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide is sourced from PubChem (CID 123862935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).