[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol

C15H18BrN3O2 — CID 114638223

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cccc2c1NCC2
InChIInChI=1S/C15H18BrN3O2/c1-21-8-7-19-14(12(16)9-18-19)15(20)11-4-2-3-10-5-6-17-13(10)11/h2-4,9,15,17,20H,5-8H2,1H3
InChIKeyXZNBBSDRRJWAJZ-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.34
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol (PubChem CID 114638223) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol
PubChem CID114638223
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cccc2c1NCC2
InChIInChI=1S/C15H18BrN3O2/c1-21-8-7-19-14(12(16)9-18-19)15(20)11-4-2-3-10-5-6-17-13(10)11/h2-4,9,15,17,20H,5-8H2,1H3
InChIKeyXZNBBSDRRJWAJZ-UHFFFAOYSA-N
XLogP2.34
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806
2,3-dihydro-1H-indol-7-yl-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114638224
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol
CID 114638231
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(5-bromothiophen-2-yl)methanol
CID 114634240
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol (CID 114638223) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol is COCCn1ncc(Br)c1C(O)c1cccc2c1NCC2.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol?
The InChIKey is XZNBBSDRRJWAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-21-8-7-19-14(12(16)9-18-19)15(20)11-4-2-3-10-5-6-17-13(10)11/h2-4,9,15,17,20H,5-8H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol has a molecular weight of 352.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol is sourced from PubChem (CID 114638223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).