2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol

C13H16ClN3O — CID 64829934

IUPAC2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccccc2Cl)cn1
InChIInChI=1S/C13H16ClN3O/c14-13-4-2-1-3-12(13)9-15-7-11-8-16-17(10-11)5-6-18/h1-4,8,10,15,18H,5-7,9H2
InChIKeyRSBPZOVNUZHJRT-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.82
Rot. Bonds6

About 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64829934) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64829934
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccccc2Cl)cn1
InChIInChI=1S/C13H16ClN3O/c14-13-4-2-1-3-12(13)9-15-7-11-8-16-17(10-11)5-6-18/h1-4,8,10,15,18H,5-7,9H2
InChIKeyRSBPZOVNUZHJRT-UHFFFAOYSA-N
XLogP1.82
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 60699444
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
2-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830371
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64828655
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
2-chloro-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112554197
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol (CID 64829934) is 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCc2ccccc2Cl)cn1.
What is the InChIKey of 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is RSBPZOVNUZHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-13-4-2-1-3-12(13)9-15-7-11-8-16-17(10-11)5-6-18/h1-4,8,10,15,18H,5-7,9H2.
What are the key properties of 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 265.74 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).