3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole

C14H18N2 — CID 82078471

IUPAC3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
SMILESCc1cc(C)n(-c2ccccc2C(C)C)n1
InChIInChI=1S/C14H18N2/c1-10(2)13-7-5-6-8-14(13)16-12(4)9-11(3)15-16/h5-10H,1-4H3
InChIKeyXKXKPODDOYFUNI-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.61
Rot. Bonds2

About 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole

3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole (PubChem CID 82078471) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
PubChem CID82078471
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
SMILESCc1cc(C)n(-c2ccccc2C(C)C)n1
InChIInChI=1S/C14H18N2/c1-10(2)13-7-5-6-8-14(13)16-12(4)9-11(3)15-16/h5-10H,1-4H3
InChIKeyXKXKPODDOYFUNI-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83823935
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
CID 168525628
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 82970956
4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
4,5-dimethyl-1-(2-propan-2-ylphenyl)triazole
CID 58328305

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole (CID 82078471) is 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole is Cc1cc(C)n(-c2ccccc2C(C)C)n1.
What is the InChIKey of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole?
The InChIKey is XKXKPODDOYFUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)13-7-5-6-8-14(13)16-12(4)9-11(3)15-16/h5-10H,1-4H3.
What are the key properties of 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole?
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 82078471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).