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

C14H15ClN2O2 — CID 114645296

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)C1Cc2ccccc2O1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-13(10(15)8-16-17)14(18)12-7-9-5-3-4-6-11(9)19-12/h3-6,8,12,14,18H,2,7H2,1H3
InChIKeyGRWGFYPSYYPWHV-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.59
Rot. Bonds3

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

(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol (PubChem CID 114645296) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
PubChem CID114645296
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)C1Cc2ccccc2O1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-13(10(15)8-16-17)14(18)12-7-9-5-3-4-6-11(9)19-12/h3-6,8,12,14,18H,2,7H2,1H3
InChIKeyGRWGFYPSYYPWHV-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106601012
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114660019
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645306
(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115834933
[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262979
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 114644108
(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 114645203
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665852
2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol
CID 61101558
1-(4-chloro-1-ethylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644600
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol (CID 114645296) is (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol is CCn1ncc(Cl)c1C(O)C1Cc2ccccc2O1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol?
The InChIKey is GRWGFYPSYYPWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-17-13(10(15)8-16-17)14(18)12-7-9-5-3-4-6-11(9)19-12/h3-6,8,12,14,18H,2,7H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol has a molecular weight of 278.74 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114645296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).