2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

C14H17ClN2O2 — CID 114633954

IUPAC2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H17ClN2O2/c1-14(18,13-12(15)9-16-17(13)2)8-10-4-6-11(19-3)7-5-10/h4-7,9,18H,8H2,1-3H3
InChIKeyIVZZZZHNGKVXRU-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 114633954) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
PubChem CID114633954
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H17ClN2O2/c1-14(18,13-12(15)9-16-17(13)2)8-10-4-6-11(19-3)7-5-10/h4-7,9,18H,8H2,1-3H3
InChIKeyIVZZZZHNGKVXRU-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol
CID 114633513
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633955
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633949
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepane
CID 136534336
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648390
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (CID 114633954) is 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(C)(O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is IVZZZZHNGKVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(18,13-12(15)9-16-17(13)2)8-10-4-6-11(19-3)7-5-10/h4-7,9,18H,8H2,1-3H3.
What are the key properties of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 280.76 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 114633954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).