2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol

C19H29N3O2 — CID 111423546

IUPAC2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CNCc2cn[nH]c2C(C)(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-13(2)24-16-8-6-7-14(9-16)17(23)12-20-10-15-11-21-22-18(15)19(3,4)5/h6-9,11,13,17,20,23H,10,12H2,1-5H3,(H,21,22)
InChIKeyXUJDAUYHJPPKBV-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.32
Rot. Bonds7

About 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol

2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 111423546) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID111423546
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CNCc2cn[nH]c2C(C)(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-13(2)24-16-8-6-7-14(9-16)17(23)12-20-10-15-11-21-22-18(15)19(3,4)5/h6-9,11,13,17,20,23H,10,12H2,1-5H3,(H,21,22)
InChIKeyXUJDAUYHJPPKBV-UHFFFAOYSA-N
XLogP3.32
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111423579
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 86808519
(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
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 47625050
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
CID 111448944
3-[[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methyl]benzoic acid
CID 122031377
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 133304652

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol (CID 111423546) is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(O)CNCc2cn[nH]c2C(C)(C)C)c1.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is XUJDAUYHJPPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)24-16-8-6-7-14(9-16)17(23)12-20-10-15-11-21-22-18(15)19(3,4)5/h6-9,11,13,17,20,23H,10,12H2,1-5H3,(H,21,22).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol?
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 331.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 111423546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).