[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten

C10H12N3W- — CID 21337557

IUPAC[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten
SMILES[H]/[C-]=C(C)/C=C(/C)C(=[W])n1nccc1N
InChIInChI=1S/C10H12N3.W/c1-8(2)6-9(3)7-13-10(11)4-5-12-13;/h1,4-6H,11H2,2-3H3;/q-1;/b9-6-;
InChIKeyZJOQMIGGTRRLFV-BORNJIKYSA-N
MW358.07 g/mol
LogP1.32
Rot. Bonds3

About [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten

[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten (PubChem CID 21337557) has the molecular formula C10H12N3W- and a molecular weight of 358.07 g/mol. Its IUPAC name is [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten
PubChem CID21337557
Molecular FormulaC10H12N3W-
Molecular Weight358.07 g/mol
Exact Mass358.05
IUPAC Name[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten
SMILES[H]/[C-]=C(C)/C=C(/C)C(=[W])n1nccc1N
InChIInChI=1S/C10H12N3.W/c1-8(2)6-9(3)7-13-10(11)4-5-12-13;/h1,4-6H,11H2,2-3H3;/q-1;/b9-6-;
InChIKeyZJOQMIGGTRRLFV-BORNJIKYSA-N
XLogP1.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.07
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 337310
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
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CID 1084923
1-(tert-Butyl)-1H-pyrazol-5-amine
CID 39869098
1-tert-butyl-1H-pyrazol-5-amine hydrochloride
CID 126807560
1-(3,5-Difluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 70214179
1-(2-Fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 70216304
1-[(3E)-5-fluoro-2-methylpenta-1,3-dien-3-yl]pyrazol-3-amine
CID 134596494
1-(4-Ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 135232950
2-[(1Z,3E,5E)-1,3-dichloro-5-(difluoromethyl)hepta-1,3,5-trien-2-yl]pyrazol-3-amine
CID 141842891
1-[(3E)-6-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrazol-3-amine
CID 143518768
5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
CID 166968399

Frequently Asked Questions

What is the IUPAC name of [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten (CID 21337557) is [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten is [H]/[C-]=C(C)/C=C(/C)C(=[W])n1nccc1N.
What is the InChIKey of [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten?
The InChIKey is ZJOQMIGGTRRLFV-BORNJIKYSA-N. The full InChI is InChI=1S/C10H12N3.W/c1-8(2)6-9(3)7-13-10(11)4-5-12-13;/h1,4-6H,11H2,2-3H3;/q-1;/b9-6-;.
What are the key properties of [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten?
[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten has a molecular weight of 358.07 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten is sourced from PubChem (CID 21337557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).