3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole

C14H18N2O — CID 879148

IUPAC3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
SMILESCc1ccccc1OCCc1c(C)n[nH]c1C
InChIInChI=1S/C14H18N2O/c1-10-6-4-5-7-14(10)17-9-8-13-11(2)15-16-12(13)3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyJDWAIHUYILDJAM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.96
Rot. Bonds4

About 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole

3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole (PubChem CID 879148) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
PubChem CID879148
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
SMILESCc1ccccc1OCCc1c(C)n[nH]c1C
InChIInChI=1S/C14H18N2O/c1-10-6-4-5-7-14(10)17-9-8-13-11(2)15-16-12(13)3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyJDWAIHUYILDJAM-UHFFFAOYSA-N
XLogP2.96
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
CID 28910618
4-[4-(2-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332795
4-[4-(2-tert-butylphenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2304782
4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 11948795
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate
CID 75441351
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-dimethyl-1H-pyrazole
CID 6482601
3,5-dimethyl-4-[6-(4-methylphenoxy)hexyl]-1H-pyrazole
CID 2057791
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide
CID 110685624
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
CID 132764607
N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 22775369
[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
CID 54850620

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole (CID 879148) is 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole is Cc1ccccc1OCCc1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole?
The InChIKey is JDWAIHUYILDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-4-5-7-14(10)17-9-8-13-11(2)15-16-12(13)3/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole?
3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole has a molecular weight of 230.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole is sourced from PubChem (CID 879148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).