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

C10H15N5 — CID 123974230

IUPAC3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide
SMILES[H]/N=C(\C)C/C(N)=N/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C10H15N5/c1-3-4-8-6-10(15-14-8)13-9(12)5-7(2)11/h3-4,6,11H,5H2,1-2H3,(H3,12,13,14,15)/b4-3+,11-7+
InChIKeyVWKOELGNAYWGFF-KDYKCUIDSA-N
MW205.27 g/mol
LogP1.86
Rot. Bonds4

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

3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide (PubChem CID 123974230) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide.

Molecular Properties

Compound Name3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide
PubChem CID123974230
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide
SMILES[H]/N=C(\C)C/C(N)=N/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C10H15N5/c1-3-4-8-6-10(15-14-8)13-9(12)5-7(2)11/h3-4,6,11H,5H2,1-2H3,(H3,12,13,14,15)/b4-3+,11-7+
InChIKeyVWKOELGNAYWGFF-KDYKCUIDSA-N
XLogP1.86
TPSA90.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.86
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-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide?
The IUPAC name of 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide (CID 123974230) is 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide.
What is the SMILES notation for 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide?
The canonical SMILES for 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide is [H]/N=C(\C)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]butanimidamide?
The InChIKey is VWKOELGNAYWGFF-KDYKCUIDSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-4-8-6-10(15-14-8)13-9(12)5-7(2)11/h3-4,6,11H,5H2,1-2H3,(H3,12,13,14,15)/b4-3+,11-7+.
What are the key properties of 3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide?
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]butanimidamide has a molecular weight of 205.27 g/mol, XLogP of 1.86, 4 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]butanimidamide is sourced from PubChem (CID 123974230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).