5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole

C8H10N2 — CID 123564030

IUPAC5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
SMILESC=CC(=C)c1[nH]ncc1C
InChIInChI=1S/C8H10N2/c1-4-6(2)8-7(3)5-9-10-8/h4-5H,1-2H2,3H3,(H,9,10)
InChIKeyKFEASFQWDLNIRW-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.92
Rot. Bonds2

About 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole

5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole (PubChem CID 123564030) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
PubChem CID123564030
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
SMILESC=CC(=C)c1[nH]ncc1C
InChIInChI=1S/C8H10N2/c1-4-6(2)8-7(3)5-9-10-8/h4-5H,1-2H2,3H3,(H,9,10)
InChIKeyKFEASFQWDLNIRW-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
2-isocyano-N,N-dimethyl-2-(4-methyl-1H-pyrazol-5-yl)ethenamine
CID 123304406
N-amino-N',4-dimethyl-1H-pyrazole-5-carboximidamide
CID 137272488
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide
CID 130628972
4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine
CID 143600723
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
5-ethenyl-7-methyl-1H-indazole
CID 142337605
5-iodo-4-methyl-1H-pyrazole
CID 67184620
(4-methyl-1H-pyrazol-5-yl)phosphane
CID 166076503
4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
CID 138671207
5-ethenyl-4-prop-1-en-2-yl-1H-pyrazole
CID 143124690

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole?
The IUPAC name of 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole (CID 123564030) is 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole?
The canonical SMILES for 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole is C=CC(=C)c1[nH]ncc1C.
What is the InChIKey of 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole?
The InChIKey is KFEASFQWDLNIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-6(2)8-7(3)5-9-10-8/h4-5H,1-2H2,3H3,(H,9,10).
What are the key properties of 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole?
5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole has a molecular weight of 134.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole is sourced from PubChem (CID 123564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).