(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol

C16H22N2O2 — CID 114557016

IUPAC(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCOc1ccccc1C(O)c1ccnn1CCC
InChIInChI=1S/C16H22N2O2/c1-3-11-18-14(9-10-17-18)16(19)13-7-5-6-8-15(13)20-12-4-2/h5-10,16,19H,3-4,11-12H2,1-2H3
InChIKeyCCFIGAYFSRVVER-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.16
Rot. Bonds7

About (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol

(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 114557016) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID114557016
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCOc1ccccc1C(O)c1ccnn1CCC
InChIInChI=1S/C16H22N2O2/c1-3-11-18-14(9-10-17-18)16(19)13-7-5-6-8-15(13)20-12-4-2/h5-10,16,19H,3-4,11-12H2,1-2H3
InChIKeyCCFIGAYFSRVVER-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(2-ethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975893
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
CID 104504645
2,3-dihydro-1-benzofuran-7-yl-(2-propylpyrazol-3-yl)methanol
CID 114743786
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol (CID 114557016) is (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol is CCCOc1ccccc1C(O)c1ccnn1CCC.
What is the InChIKey of (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is CCFIGAYFSRVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-18-14(9-10-17-18)16(19)13-7-5-6-8-15(13)20-12-4-2/h5-10,16,19H,3-4,11-12H2,1-2H3.
What are the key properties of (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 274.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 114557016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).