2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol

C14H19N3O — CID 64829341

IUPAC2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1ccc(NCc2cnn(CCO)c2)c(C)c1
InChIInChI=1S/C14H19N3O/c1-11-3-4-14(12(2)7-11)15-8-13-9-16-17(10-13)5-6-18/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3
InChIKeyMPOREYCXZJLMMB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.10
Rot. Bonds5

About 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol

2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64829341) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
PubChem CID64829341
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1ccc(NCc2cnn(CCO)c2)c(C)c1
InChIInChI=1S/C14H19N3O/c1-11-3-4-14(12(2)7-11)15-8-13-9-16-17(10-13)5-6-18/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3
InChIKeyMPOREYCXZJLMMB-UHFFFAOYSA-N
XLogP2.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
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-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146
1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325118
3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-4-methylbenzenesulfonamide
CID 64830945
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol (CID 64829341) is 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol is Cc1ccc(NCc2cnn(CCO)c2)c(C)c1.
What is the InChIKey of 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is MPOREYCXZJLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-3-4-14(12(2)7-11)15-8-13-9-16-17(10-13)5-6-18/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3.
What are the key properties of 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).