1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol

C15H21N3O2 — CID 111423579

IUPAC1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESCC(C)Oc1cccc(C(O)CNCc2ccn[nH]2)c1
InChIInChI=1S/C15H21N3O2/c1-11(2)20-14-5-3-4-12(8-14)15(19)10-16-9-13-6-7-17-18-13/h3-8,11,15-16,19H,9-10H2,1-2H3,(H,17,18)
InChIKeyJLVUWTFBEJJPQR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds7

About 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol

1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol (PubChem CID 111423579) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
PubChem CID111423579
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESCC(C)Oc1cccc(C(O)CNCc2ccn[nH]2)c1
InChIInChI=1S/C15H21N3O2/c1-11(2)20-14-5-3-4-12(8-14)15(19)10-16-9-13-6-7-17-18-13/h3-8,11,15-16,19H,9-10H2,1-2H3,(H,17,18)
InChIKeyJLVUWTFBEJJPQR-UHFFFAOYSA-N
XLogP2.02
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 111423546
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477462
3-[[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methyl]benzoic acid
CID 122031377
(2S)-2-(3-fluorophenoxy)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 97022485
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446
2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 133304652
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111467784
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol (CID 111423579) is 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol is CC(C)Oc1cccc(C(O)CNCc2ccn[nH]2)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The InChIKey is JLVUWTFBEJJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)20-14-5-3-4-12(8-14)15(19)10-16-9-13-6-7-17-18-13/h3-8,11,15-16,19H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 111423579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).