(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol

C15H17ClN2O2 — CID 114645295

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)C1COc2ccccc21
InChIInChI=1S/C15H17ClN2O2/c1-9(2)18-14(12(16)7-17-18)15(19)11-8-20-13-6-4-3-5-10(11)13/h3-7,9,11,15,19H,8H2,1-2H3
InChIKeyITVXYCOPQAEAHE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.33
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol (PubChem CID 114645295) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
PubChem CID114645295
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)C1COc2ccccc21
InChIInChI=1S/C15H17ClN2O2/c1-9(2)18-14(12(16)7-17-18)15(19)11-8-20-13-6-4-3-5-10(11)13/h3-7,9,11,15,19H,8H2,1-2H3
InChIKeyITVXYCOPQAEAHE-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol (CID 114645295) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol is CC(C)n1ncc(Cl)c1C(O)C1COc2ccccc21.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
The InChIKey is ITVXYCOPQAEAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)18-14(12(16)7-17-18)15(19)11-8-20-13-6-4-3-5-10(11)13/h3-7,9,11,15,19H,8H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol has a molecular weight of 292.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 114645295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).