4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole

C15H20N2 — CID 59743779

IUPAC4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole
SMILESCc1c(CC(C)(C)C)cnn1-c1ccccc1
InChIInChI=1S/C15H20N2/c1-12-13(10-15(2,3)4)11-16-17(12)14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3
InChIKeyUSQMZXKKQDKYMU-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.77
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole

4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole (PubChem CID 59743779) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole
PubChem CID59743779
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole
SMILESCc1c(CC(C)(C)C)cnn1-c1ccccc1
InChIInChI=1S/C15H20N2/c1-12-13(10-15(2,3)4)11-16-17(12)14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3
InChIKeyUSQMZXKKQDKYMU-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 82528795
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]methanethiol
CID 82528669
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]acetic acid
CID 82528327
4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254826
2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine
CID 59438219
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
1,7-bis(5-methyl-1-phenylpyrazol-4-yl)hepta-1,6-diene-3,5-dione
CID 178184437
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole (CID 59743779) is 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole is Cc1c(CC(C)(C)C)cnn1-c1ccccc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole?
The InChIKey is USQMZXKKQDKYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-13(10-15(2,3)4)11-16-17(12)14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole?
4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole is sourced from PubChem (CID 59743779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).