2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol

C13H16ClN3O — CID 64830927

IUPAC2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1cc(Cl)ccc1NCc1cnn(CCO)c1
InChIInChI=1S/C13H16ClN3O/c1-10-6-12(14)2-3-13(10)15-7-11-8-16-17(9-11)4-5-18/h2-3,6,8-9,15,18H,4-5,7H2,1H3
InChIKeyODZKGHXEGJCVOL-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol

2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64830927) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
PubChem CID64830927
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1cc(Cl)ccc1NCc1cnn(CCO)c1
InChIInChI=1S/C13H16ClN3O/c1-10-6-12(14)2-3-13(10)15-7-11-8-16-17(9-11)4-5-18/h2-3,6,8-9,15,18H,4-5,7H2,1H3
InChIKeyODZKGHXEGJCVOL-UHFFFAOYSA-N
XLogP2.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
2-[4-[(2-methyl-4-nitroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829004
2-[4-[(3-chloroanilino)methyl]pyrazol-1-yl]ethanol
CID 64830921
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769
3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-4-methylbenzenesulfonamide
CID 64830945
4-fluoro-3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzoic acid
CID 64829970
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol (CID 64830927) is 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol is Cc1cc(Cl)ccc1NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is ODZKGHXEGJCVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-10-6-12(14)2-3-13(10)15-7-11-8-16-17(9-11)4-5-18/h2-3,6,8-9,15,18H,4-5,7H2,1H3.
What are the key properties of 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 265.74 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).