2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol

C16H22ClN3O — CID 111448944

IUPAC2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
SMILESCC(C)(C)c1[nH]ncc1CNCC(O)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O/c1-16(2,3)15-11(9-19-20-15)8-18-10-14(21)12-6-4-5-7-13(12)17/h4-7,9,14,18,21H,8,10H2,1-3H3,(H,19,20)
InChIKeyGXAORFBNDBGTKG-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.18
Rot. Bonds5

About 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol

2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol (PubChem CID 111448944) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
PubChem CID111448944
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
SMILESCC(C)(C)c1[nH]ncc1CNCC(O)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O/c1-16(2,3)15-11(9-19-20-15)8-18-10-14(21)12-6-4-5-7-13(12)17/h4-7,9,14,18,21H,8,10H2,1-3H3,(H,19,20)
InChIKeyGXAORFBNDBGTKG-UHFFFAOYSA-N
XLogP3.18
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579607
(1R)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579606
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 47626527
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 111423546
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 47625050
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111448950
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
CID 106146601

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol (CID 111448944) is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol is CC(C)(C)c1[nH]ncc1CNCC(O)c1ccccc1Cl.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol?
The InChIKey is GXAORFBNDBGTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-16(2,3)15-11(9-19-20-15)8-18-10-14(21)12-6-4-5-7-13(12)17/h4-7,9,14,18,21H,8,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol?
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol has a molecular weight of 307.82 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 111448944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).