4-penta-1,3-dien-2-yl-1H-pyrazole

C8H10N2 — CID 123880158

IUPAC4-penta-1,3-dien-2-yl-1H-pyrazole
SMILESC=C(C=CC)c1cn[nH]c1
InChIInChI=1S/C8H10N2/c1-3-4-7(2)8-5-9-10-6-8/h3-6H,2H2,1H3,(H,9,10)
InChIKeySFUQPURFZHUHTK-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.00
Rot. Bonds2

About 4-penta-1,3-dien-2-yl-1H-pyrazole

4-penta-1,3-dien-2-yl-1H-pyrazole (PubChem CID 123880158) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-penta-1,3-dien-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-penta-1,3-dien-2-yl-1H-pyrazole
PubChem CID123880158
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-penta-1,3-dien-2-yl-1H-pyrazole
SMILESC=C(C=CC)c1cn[nH]c1
InChIInChI=1S/C8H10N2/c1-3-4-7(2)8-5-9-10-6-8/h3-6H,2H2,1H3,(H,9,10)
InChIKeySFUQPURFZHUHTK-UHFFFAOYSA-N
XLogP2.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-penta-1,3-dien-2-yl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-1H-pyrazole
CID 123744662
ethane;4-(4-methylpenta-1,3-dien-2-yl)-1H-pyrazole
CID 143862228
ethane;ethene;4-[(4Z)-3-propan-2-ylidenehexa-1,4-dien-2-yl]-1H-pyrazole
CID 145146844
4-[(3E)-penta-1,3-dien-3-yl]-1H-pyrazole
CID 138567214
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazole
CID 166164658
N-methyl-1-(1H-pyrazol-4-yl)ethenamine
CID 134288911
4-[(1E,3Z)-1-bromopenta-1,3-dienyl]-1H-pyrazole
CID 143148023
4-(6-methylideneoct-2-en-3-yl)-1H-pyrazole
CID 123353339
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
1-(1H-pyrazol-4-yl)prop-2-en-1-one
CID 130572968
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 145220213

Frequently Asked Questions

What is the IUPAC name of 4-penta-1,3-dien-2-yl-1H-pyrazole?
The IUPAC name of 4-penta-1,3-dien-2-yl-1H-pyrazole (CID 123880158) is 4-penta-1,3-dien-2-yl-1H-pyrazole.
What is the SMILES notation for 4-penta-1,3-dien-2-yl-1H-pyrazole?
The canonical SMILES for 4-penta-1,3-dien-2-yl-1H-pyrazole is C=C(C=CC)c1cn[nH]c1.
What is the InChIKey of 4-penta-1,3-dien-2-yl-1H-pyrazole?
The InChIKey is SFUQPURFZHUHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-4-7(2)8-5-9-10-6-8/h3-6H,2H2,1H3,(H,9,10).
What are the key properties of 4-penta-1,3-dien-2-yl-1H-pyrazole?
4-penta-1,3-dien-2-yl-1H-pyrazole has a molecular weight of 134.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-1,3-dien-2-yl-1H-pyrazole is sourced from PubChem (CID 123880158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).