3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole

C14H20N2 — CID 90723422

IUPAC3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole
SMILESCCCCC1N=NC(C)C1c1ccccc1
InChIInChI=1S/C14H20N2/c1-3-4-10-13-14(11(2)15-16-13)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3
InChIKeyJVQVOOGRJQTZDQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.18
Rot. Bonds4

About 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole

3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole (PubChem CID 90723422) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole
PubChem CID90723422
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole
SMILESCCCCC1N=NC(C)C1c1ccccc1
InChIInChI=1S/C14H20N2/c1-3-4-10-13-14(11(2)15-16-13)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3
InChIKeyJVQVOOGRJQTZDQ-UHFFFAOYSA-N
XLogP4.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777
butyl(phenyl)iodanium
CID 87304112
(2-butylcyclopentyl)benzene
CID 20616758
2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane
CID 71346298
[(3R)-2,5-dimethyl-3,4-diphenylcyclopentyl]oxy-trimethylsilane
CID 135036107
N-benzyl-2-pentyl-2,3-dihydropyridin-3-amine
CID 70421914
tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane
CID 10837130
3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one
CID 11776163
butyl(triphenyl)boranuide;diphenyliodanium
CID 10962913
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
cis-(3R,4S)-3-butyl-2,2-dimethyl-4-phenylcyclobutan-1-one
CID 10889734
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole (CID 90723422) is 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole is CCCCC1N=NC(C)C1c1ccccc1.
What is the InChIKey of 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole?
The InChIKey is JVQVOOGRJQTZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-10-13-14(11(2)15-16-13)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3.
What are the key properties of 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole?
3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole has a molecular weight of 216.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 90723422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).