[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol

C13H15ClN2O2 — CID 39365870

IUPAC[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCOc1ccc(Cl)cc1-n1nc(C)c(CO)c1C
InChIInChI=1S/C13H15ClN2O2/c1-8-11(7-17)9(2)16(15-8)12-6-10(14)4-5-13(12)18-3/h4-6,17H,7H2,1-3H3
InChIKeySHWQIZCSHWLAGP-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.64
Rot. Bonds3

About [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol

[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 39365870) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID39365870
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCOc1ccc(Cl)cc1-n1nc(C)c(CO)c1C
InChIInChI=1S/C13H15ClN2O2/c1-8-11(7-17)9(2)16(15-8)12-6-10(14)4-5-13(12)18-3/h4-6,17H,7H2,1-3H3
InChIKeySHWQIZCSHWLAGP-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647441
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
1-[1-(2-methoxy-5-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760375
1-(5-chloro-2-methoxyphenyl)-4-(chloromethyl)-5-methylpyrazole
CID 82528095
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760315
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 60508564
N-[[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760406
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol (CID 39365870) is [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol is COc1ccc(Cl)cc1-n1nc(C)c(CO)c1C.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is SHWQIZCSHWLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-11(7-17)9(2)16(15-8)12-6-10(14)4-5-13(12)18-3/h4-6,17H,7H2,1-3H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 266.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 39365870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).