1-(2,2-dimethylpropyl)-4-phenylpyrazole

C14H18N2 — CID 149052021

IUPAC1-(2,2-dimethylpropyl)-4-phenylpyrazole
SMILESCC(C)(C)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H18N2/c1-14(2,3)11-16-10-13(9-15-16)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyQJZVKZVEFKHQFG-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.60
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-phenylpyrazole

1-(2,2-dimethylpropyl)-4-phenylpyrazole (PubChem CID 149052021) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-phenylpyrazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-phenylpyrazole
PubChem CID149052021
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(2,2-dimethylpropyl)-4-phenylpyrazole
SMILESCC(C)(C)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H18N2/c1-14(2,3)11-16-10-13(9-15-16)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyQJZVKZVEFKHQFG-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine
CID 79620196
2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine
CID 79619961
1-[2-(bromomethyl)-2-propylpentyl]-4-phenylpyrazole
CID 65005833
2-(4-phenylpyrazol-1-yl)acetaldehyde
CID 62770102
tris(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
CID 161293440
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
2,2-dimethyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 106714171
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62770976
2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid
CID 63919519

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-phenylpyrazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-phenylpyrazole (CID 149052021) is 1-(2,2-dimethylpropyl)-4-phenylpyrazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-phenylpyrazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-phenylpyrazole is CC(C)(C)Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-phenylpyrazole?
The InChIKey is QJZVKZVEFKHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,3)11-16-10-13(9-15-16)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-phenylpyrazole?
1-(2,2-dimethylpropyl)-4-phenylpyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-phenylpyrazole is sourced from PubChem (CID 149052021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).