5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole

C9H16N2 — CID 155347942

IUPAC5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole
SMILESCC/C=C\C1=NN(C)C(C)C1
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7-8(2)11(3)10-9/h5-6,8H,4,7H2,1-3H3/b6-5-
InChIKeyZIHVCVLHLNFREI-WAYWQWQTSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole

5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole (PubChem CID 155347942) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole
PubChem CID155347942
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole
SMILESCC/C=C\C1=NN(C)C(C)C1
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7-8(2)11(3)10-9/h5-6,8H,4,7H2,1-3H3/b6-5-
InChIKeyZIHVCVLHLNFREI-WAYWQWQTSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(Z)-but-1-enyl]-2-methyl-3,4-dihydropyrazole
CID 139477941
5-ethynyl-2,3-dimethyl-3,4-dihydropyrazole
CID 89053259
2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 67953910
4-[(Z)-but-1-enyl]-5-ethenyl-2-methyltriazole
CID 145065427
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174
4-[(E)-but-1-enyl]-1-methylpyrazole;ethane
CID 177039427
5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine
CID 70181027
1-(4-but-1-enylphenyl)aziridine
CID 154114150
(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide
CID 134126473
4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane
CID 142942599
N-[(2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)sulfanylmethyl]formamide
CID 88700224
3-[(E)-but-1-enyl]imidazo[1,2-a]pyridine
CID 16741623

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole?
The IUPAC name of 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole (CID 155347942) is 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole?
The canonical SMILES for 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole is CC/C=C\C1=NN(C)C(C)C1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole?
The InChIKey is ZIHVCVLHLNFREI-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-9-7-8(2)11(3)10-9/h5-6,8H,4,7H2,1-3H3/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole?
5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole is sourced from PubChem (CID 155347942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).