4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole

C9H12N2 — CID 122678267

IUPAC4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole
SMILESC=C(/C=C\C)c1[nH]ncc1C
InChIInChI=1S/C9H12N2/c1-4-5-7(2)9-8(3)6-10-11-9/h4-6H,2H2,1,3H3,(H,10,11)/b5-4-
InChIKeyFPADMTWMMWMWSI-PLNGDYQASA-N
MW148.21 g/mol
LogP2.31
Rot. Bonds2

About 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole

4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole (PubChem CID 122678267) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole
PubChem CID122678267
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole
SMILESC=C(/C=C\C)c1[nH]ncc1C
InChIInChI=1S/C9H12N2/c1-4-5-7(2)9-8(3)6-10-11-9/h4-6H,2H2,1,3H3,(H,10,11)/b5-4-
InChIKeyFPADMTWMMWMWSI-PLNGDYQASA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole?
The IUPAC name of 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole (CID 122678267) is 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole?
The canonical SMILES for 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole is C=C(/C=C\C)c1[nH]ncc1C.
What is the InChIKey of 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole?
The InChIKey is FPADMTWMMWMWSI-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-7(2)9-8(3)6-10-11-9/h4-6H,2H2,1,3H3,(H,10,11)/b5-4-.
What are the key properties of 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole?
4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole is sourced from PubChem (CID 122678267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).