1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone

C16H20N2O3 — CID 66668568

IUPAC1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCCC(O)c1nn(Cc2ccc(OC)cc2)cc1C(C)=O
InChIInChI=1S/C16H20N2O3/c1-4-15(20)16-14(11(2)19)10-18(17-16)9-12-5-7-13(21-3)8-6-12/h5-8,10,15,20H,4,9H2,1-3H3
InChIKeyRZNWIIRVXCNXMY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.59
Rot. Bonds6

About 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone

1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone (PubChem CID 66668568) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
PubChem CID66668568
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCCC(O)c1nn(Cc2ccc(OC)cc2)cc1C(C)=O
InChIInChI=1S/C16H20N2O3/c1-4-15(20)16-14(11(2)19)10-18(17-16)9-12-5-7-13(21-3)8-6-12/h5-8,10,15,20H,4,9H2,1-3H3
InChIKeyRZNWIIRVXCNXMY-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959
1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone;1-(5-bromo-1H-pyrazol-4-yl)ethanone
CID 161497882
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
CID 59023809
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
sodium;hydride;1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-3-sulfinic acid
CID 175439861

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone (CID 66668568) is 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone is CCC(O)c1nn(Cc2ccc(OC)cc2)cc1C(C)=O.
What is the InChIKey of 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The InChIKey is RZNWIIRVXCNXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-15(20)16-14(11(2)19)10-18(17-16)9-12-5-7-13(21-3)8-6-12/h5-8,10,15,20H,4,9H2,1-3H3.
What are the key properties of 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 66668568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).