(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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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol
CID 114637933
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 105234528
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642156
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105183679
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 97242339
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 82822455
(2,5-dibromo-4-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 81473974
(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634295

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).