1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol

C18H27N3O2 — CID 121494372

IUPAC1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol
SMILESCC(C)N(CC(O)COc1ccccc1-c1cn[nH]c1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-13(2)21(14(3)4)11-16(22)12-23-18-8-6-5-7-17(18)15-9-19-20-10-15/h5-10,13-14,16,22H,11-12H2,1-4H3,(H,19,20)
InChIKeyLUAXKZZNGDYFDW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.94
Rot. Bonds8

About 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol

1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol (PubChem CID 121494372) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol
PubChem CID121494372
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol
SMILESCC(C)N(CC(O)COc1ccccc1-c1cn[nH]c1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-13(2)21(14(3)4)11-16(22)12-23-18-8-6-5-7-17(18)15-9-19-20-10-15/h5-10,13-14,16,22H,11-12H2,1-4H3,(H,19,20)
InChIKeyLUAXKZZNGDYFDW-UHFFFAOYSA-N
XLogP2.94
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
CID 73354201
[2-(1H-pyrazol-4-yl)phenyl]boronic acid
CID 67224191
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
CID 101171640
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
CID 158871625
CID 158871625
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol (CID 121494372) is 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol is CC(C)N(CC(O)COc1ccccc1-c1cn[nH]c1)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol?
The InChIKey is LUAXKZZNGDYFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)21(14(3)4)11-16(22)12-23-18-8-6-5-7-17(18)15-9-19-20-10-15/h5-10,13-14,16,22H,11-12H2,1-4H3,(H,19,20).
What are the key properties of 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol?
1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol has a molecular weight of 317.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 121494372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).