carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium

C9H16N3V- — CID 172606945

IUPACcarbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium
SMILES[CH3-].[H]/N=C/c1c(C(C)C)cnn1C.[V]
InChIInChI=1S/C8H13N3.CH3.V/c1-6(2)7-5-10-11(3)8(7)4-9;;/h4-6,9H,1-3H3;1H3;/q;-1;/b9-4+;;
InChIKeyYLXPBIXVENJTEX-HPJBNNNXSA-N
MW217.19 g/mol
LogP1.99
Rot. Bonds2

About carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium

carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium (PubChem CID 172606945) has the molecular formula C9H16N3V- and a molecular weight of 217.19 g/mol. Its IUPAC name is carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium.

Molecular Properties

Compound Namecarbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium
PubChem CID172606945
Molecular FormulaC9H16N3V-
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Namecarbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium
SMILES[CH3-].[H]/N=C/c1c(C(C)C)cnn1C.[V]
InChIInChI=1S/C8H13N3.CH3.V/c1-6(2)7-5-10-11(3)8(7)4-9;;/h4-6,9H,1-3H3;1H3;/q;-1;/b9-4+;;
InChIKeyYLXPBIXVENJTEX-HPJBNNNXSA-N
XLogP1.99
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium?
The IUPAC name of carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium (CID 172606945) is carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium.
What is the SMILES notation for carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium?
The canonical SMILES for carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium is [CH3-].[H]/N=C/c1c(C(C)C)cnn1C.[V].
What is the InChIKey of carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium?
The InChIKey is YLXPBIXVENJTEX-HPJBNNNXSA-N. The full InChI is InChI=1S/C8H13N3.CH3.V/c1-6(2)7-5-10-11(3)8(7)4-9;;/h4-6,9H,1-3H3;1H3;/q;-1;/b9-4+;;.
What are the key properties of carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium?
carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium has a molecular weight of 217.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(1-methyl-4-propan-2-ylpyrazol-5-yl)methanimine;vanadium is sourced from PubChem (CID 172606945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).