1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol

C14H18ClN3O — CID 82538634

IUPAC1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol
SMILESCc1nn(C)c(C)c1NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-9-14(10(2)18(3)17-9)16-8-13(19)11-4-6-12(15)7-5-11/h4-7,13,16,19H,8H2,1-3H3
InChIKeyQMAIYNOZOXKMIK-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol

1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol (PubChem CID 82538634) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol
PubChem CID82538634
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol
SMILESCc1nn(C)c(C)c1NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-9-14(10(2)18(3)17-9)16-8-13(19)11-4-6-12(15)7-5-11/h4-7,13,16,19H,8H2,1-3H3
InChIKeyQMAIYNOZOXKMIK-UHFFFAOYSA-N
XLogP2.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 60500157
2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62118821
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
(2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide
CID 9152102
[(1S)-1-(4-chlorophenyl)ethyl]-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8637678
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
(1R)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006236
(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006229
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol (CID 82538634) is 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol is Cc1nn(C)c(C)c1NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol?
The InChIKey is QMAIYNOZOXKMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-14(10(2)18(3)17-9)16-8-13(19)11-4-6-12(15)7-5-11/h4-7,13,16,19H,8H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol?
1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol has a molecular weight of 279.77 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol is sourced from PubChem (CID 82538634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).