ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole

C13H18N2O — CID 163266612

IUPACethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole
SMILESCC.COCc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C11H12N2O.C2H6/c1-14-8-9-3-2-4-10(7-9)11-5-6-12-13-11;1-2/h2-7H,8H2,1H3,(H,12,13);1-2H3
InChIKeyNNVHZAWOENISRF-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.25
Rot. Bonds3

About ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole

ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole (PubChem CID 163266612) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Nameethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole
PubChem CID163266612
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole
SMILESCC.COCc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C11H12N2O.C2H6/c1-14-8-9-3-2-4-10(7-9)11-5-6-12-13-11;1-2/h2-7H,8H2,1H3,(H,12,13);1-2H3
InChIKeyNNVHZAWOENISRF-UHFFFAOYSA-N
XLogP3.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(prop-2-enoxymethyl)phenyl]-1H-pyrazole
CID 89362436
1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 10539500
5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine
CID 150830906
N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 66854704
5-(3-propan-2-ylphenyl)-1H-pyrazole
CID 58101929
3-methoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propane-1-sulfonamide
CID 63287844
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
CID 135330870
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
N-[[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 154891054
N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
CID 87067779
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747

Frequently Asked Questions

What is the IUPAC name of ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole?
The IUPAC name of ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole (CID 163266612) is ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole?
The canonical SMILES for ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole is CC.COCc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole?
The InChIKey is NNVHZAWOENISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-14-8-9-3-2-4-10(7-9)11-5-6-12-13-11;1-2/h2-7H,8H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole?
ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole has a molecular weight of 218.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 163266612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).