2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol

C13H16ClN3O — CID 79584301

IUPAC2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(CO)Nc2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C13H16ClN3O/c1-9-12(7-15-17(9)2)13(8-18)16-11-5-3-10(14)4-6-11/h3-7,13,16,18H,8H2,1-2H3
InChIKeyBUPUSTKFDSTFSI-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol

2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 79584301) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol
PubChem CID79584301
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(CO)Nc2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C13H16ClN3O/c1-9-12(7-15-17(9)2)13(8-18)16-11-5-3-10(14)4-6-11/h3-7,13,16,18H,8H2,1-2H3
InChIKeyBUPUSTKFDSTFSI-UHFFFAOYSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol
CID 79584677
2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83090064
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyanilino)ethanol
CID 79584117
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 103910362
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
2-(3,4-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105136491
2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584167
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
4-bromo-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133445144
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
CID 19469091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol (CID 79584301) is 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol is Cc1c(C(CO)Nc2ccc(Cl)cc2)cnn1C.
What is the InChIKey of 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is BUPUSTKFDSTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-12(7-15-17(9)2)13(8-18)16-11-5-3-10(14)4-6-11/h3-7,13,16,18H,8H2,1-2H3.
What are the key properties of 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol?
2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol has a molecular weight of 265.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 79584301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).