(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol

C16H22N2O2 — CID 64773103

IUPAC(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C16H22N2O2/c1-4-16(19)13-5-7-15(8-6-13)20-11-14-9-10-18(17-14)12(2)3/h5-10,12,16,19H,4,11H2,1-3H3/t16-/m1/s1
InChIKeyMTMKJADEWNSOCA-MRXNPFEDSA-N
MW274.36 g/mol
LogP3.49
Rot. Bonds6

About (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol

(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol (PubChem CID 64773103) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
PubChem CID64773103
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C16H22N2O2/c1-4-16(19)13-5-7-15(8-6-13)20-11-14-9-10-18(17-14)12(2)3/h5-10,12,16,19H,4,11H2,1-3H3/t16-/m1/s1
InChIKeyMTMKJADEWNSOCA-MRXNPFEDSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
3-[[4-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772205
potassium trifluoro-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boranuide
CID 64772926
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474
(1R)-1-[2-fluoro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 107720241
1-[4-(1,2-oxazol-3-ylmethoxy)phenyl]propan-1-ol
CID 111448152
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 64772318
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol (CID 64773103) is (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCc2ccn(C(C)C)n2)cc1.
What is the InChIKey of (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
The InChIKey is MTMKJADEWNSOCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(19)13-5-7-15(8-6-13)20-11-14-9-10-18(17-14)12(2)3/h5-10,12,16,19H,4,11H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 64773103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).