4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole

C9H12N2 — CID 66580522

IUPAC4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole
SMILESC=Cc1c(/C=C/C)n[nH]c1C
InChIInChI=1S/C9H12N2/c1-4-6-9-8(5-2)7(3)10-11-9/h4-6H,2H2,1,3H3,(H,10,11)/b6-4+
InChIKeySJOSBLREJHBLGN-GQCTYLIASA-N
MW148.21 g/mol
LogP2.39
Rot. Bonds2

About 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole

4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole (PubChem CID 66580522) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Name4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole
PubChem CID66580522
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole
SMILESC=Cc1c(/C=C/C)n[nH]c1C
InChIInChI=1S/C9H12N2/c1-4-6-9-8(5-2)7(3)10-11-9/h4-6H,2H2,1,3H3,(H,10,11)/b6-4+
InChIKeySJOSBLREJHBLGN-GQCTYLIASA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
The IUPAC name of 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole (CID 66580522) is 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole.
What is the SMILES notation for 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
The canonical SMILES for 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole is C=Cc1c(/C=C/C)n[nH]c1C.
What is the InChIKey of 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
The InChIKey is SJOSBLREJHBLGN-GQCTYLIASA-N. The full InChI is InChI=1S/C9H12N2/c1-4-6-9-8(5-2)7(3)10-11-9/h4-6H,2H2,1,3H3,(H,10,11)/b6-4+.
What are the key properties of 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole is sourced from PubChem (CID 66580522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).