2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol

C14H17ClN2O — CID 82528117

IUPAC2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
SMILESCc1ccc(-n2ncc(C(C)(C)O)c2C)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-9-5-6-11(7-13(9)15)17-10(2)12(8-16-17)14(3,4)18/h5-8,18H,1-4H3
InChIKeyQCXLULZLKAPKMW-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.37
Rot. Bonds2

About 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol

2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol (PubChem CID 82528117) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
PubChem CID82528117
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
SMILESCc1ccc(-n2ncc(C(C)(C)O)c2C)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-9-5-6-11(7-13(9)15)17-10(2)12(8-16-17)14(3,4)18/h5-8,18H,1-4H3
InChIKeyQCXLULZLKAPKMW-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528206
2-[1-(3,5-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528188
1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
CID 60866837
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528554
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 28606324
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
CID 66424137
[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66440403
3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507497
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439
4-(bromomethyl)-1-(3-chloro-4-methylphenyl)-5-ethylpyrazole
CID 66438579

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol (CID 82528117) is 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol is Cc1ccc(-n2ncc(C(C)(C)O)c2C)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The InChIKey is QCXLULZLKAPKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-5-6-11(7-13(9)15)17-10(2)12(8-16-17)14(3,4)18/h5-8,18H,1-4H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol?
2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol has a molecular weight of 264.76 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 82528117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).