[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol

C15H19Cl2N3O — CID 115834338

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2c(Cl)cnn2CCN(C)C)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-10-5-4-6-11(13(10)17)15(21)14-12(16)9-18-20(14)8-7-19(2)3/h4-6,9,15,21H,7-8H2,1-3H3
InChIKeyYWBOCBWIQGNZEZ-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.14
Rot. Bonds5

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol (PubChem CID 115834338) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol
PubChem CID115834338
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2c(Cl)cnn2CCN(C)C)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-10-5-4-6-11(13(10)17)15(21)14-12(16)9-18-20(14)8-7-19(2)3/h4-6,9,15,21H,7-8H2,1-3H3
InChIKeyYWBOCBWIQGNZEZ-UHFFFAOYSA-N
XLogP3.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanol
CID 106859518
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,6-dimethylpyridazin-4-yl)methanol
CID 105127216
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408254
(2-bromofuran-3-yl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 106859519
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
CID 115834242
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
2-[5-[amino-(2-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114649283
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,4-difluorophenyl)methanol
CID 114634819

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol (CID 115834338) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol is Cc1cccc(C(O)c2c(Cl)cnn2CCN(C)C)c1Cl.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol?
The InChIKey is YWBOCBWIQGNZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-10-5-4-6-11(13(10)17)15(21)14-12(16)9-18-20(14)8-7-19(2)3/h4-6,9,15,21H,7-8H2,1-3H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol has a molecular weight of 328.24 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol is sourced from PubChem (CID 115834338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).