(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol

C15H17BrN2O — CID 114644108

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
SMILESCCn1ncc(Br)c1C(O)C1Cc2ccccc2C1
InChIInChI=1S/C15H17BrN2O/c1-2-18-14(13(16)9-17-18)15(19)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,15,19H,2,7-8H2,1H3
InChIKeyHPHYGVXRCNBDDF-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.11
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol (PubChem CID 114644108) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
PubChem CID114644108
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
SMILESCCn1ncc(Br)c1C(O)C1Cc2ccccc2C1
InChIInChI=1S/C15H17BrN2O/c1-2-18-14(13(16)9-17-18)15(19)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,15,19H,2,7-8H2,1H3
InChIKeyHPHYGVXRCNBDDF-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834787
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
CID 114637053
[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105234017
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105182833
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
2-bicyclo[2.2.1]heptanyl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114645446
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645306
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol (CID 114644108) is (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol is CCn1ncc(Br)c1C(O)C1Cc2ccccc2C1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The InChIKey is HPHYGVXRCNBDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-18-14(13(16)9-17-18)15(19)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12,15,19H,2,7-8H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol has a molecular weight of 321.22 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol is sourced from PubChem (CID 114644108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).