5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole

C12H14N2O — CID 174830432

IUPAC5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole
SMILESCOc1ccc(C(C)c2ccn[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-9(12-7-8-13-14-12)10-3-5-11(15-2)6-4-10/h3-9H,1-2H3,(H,13,14)
InChIKeyMZFBBUHLUBSLQB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.57
Rot. Bonds3

About 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole

5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole (PubChem CID 174830432) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole
PubChem CID174830432
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole
SMILESCOc1ccc(C(C)c2ccn[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-9(12-7-8-13-14-12)10-3-5-11(15-2)6-4-10/h3-9H,1-2H3,(H,13,14)
InChIKeyMZFBBUHLUBSLQB-UHFFFAOYSA-N
XLogP2.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 66242814
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 60972184
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
5-(1-fluoroethyl)-1H-pyrazole
CID 147386322
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991158
5-(1-methylsulfanylethyl)-1H-pyrazole
CID 123304463
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691804
1-(3-bromo-4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881812
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94177078
2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol
CID 175586674

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole?
The IUPAC name of 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole (CID 174830432) is 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole?
The canonical SMILES for 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole is COc1ccc(C(C)c2ccn[nH]2)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole?
The InChIKey is MZFBBUHLUBSLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(12-7-8-13-14-12)10-3-5-11(15-2)6-4-10/h3-9H,1-2H3,(H,13,14).
What are the key properties of 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole?
5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole is sourced from PubChem (CID 174830432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).