(2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol

C20H23N3O2 — CID 164632692

IUPAC(2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
SMILESCC(C)c1ccccc1OC[C@@H](O)Cn1nccc1-c1cccnc1
InChIInChI=1S/C20H23N3O2/c1-15(2)18-7-3-4-8-20(18)25-14-17(24)13-23-19(9-11-22-23)16-6-5-10-21-12-16/h3-12,15,17,24H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyHCHZABLECCJCAX-KRWDZBQOSA-N
MW337.42 g/mol
LogP3.51
Rot. Bonds7

About (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol

(2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol (PubChem CID 164632692) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
PubChem CID164632692
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
SMILESCC(C)c1ccccc1OC[C@@H](O)Cn1nccc1-c1cccnc1
InChIInChI=1S/C20H23N3O2/c1-15(2)18-7-3-4-8-20(18)25-14-17(24)13-23-19(9-11-22-23)16-6-5-10-21-12-16/h3-12,15,17,24H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyHCHZABLECCJCAX-KRWDZBQOSA-N
XLogP3.51
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-42259152
CID 51353528
2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
CID 3069766
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-pyrazolo[1,5-a]pyridine
CID 44215412
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374
2-Cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466456
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
CID 53466458
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
CID 53466462

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol (CID 164632692) is (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol is CC(C)c1ccccc1OC[C@@H](O)Cn1nccc1-c1cccnc1.
What is the InChIKey of (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is HCHZABLECCJCAX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(2)18-7-3-4-8-20(18)25-14-17(24)13-23-19(9-11-22-23)16-6-5-10-21-12-16/h3-12,15,17,24H,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
(2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 337.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-propan-2-ylphenoxy)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 164632692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).