2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide

C14H14BrN3O2 — CID 164637304

IUPAC2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESO=C(Cn1cc(Br)cn1)N[C@@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C14H14BrN3O2/c15-10-6-16-18(7-10)8-13(19)17-12-5-9-3-1-2-4-11(9)14(12)20/h1-4,6-7,12,14,20H,5,8H2,(H,17,19)/t12-,14-/m1/s1
InChIKeyHJZNRRSJONJQNH-TZMCWYRMSA-N
MW336.19 g/mol
LogP1.42
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide

2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 164637304) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID164637304
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESO=C(Cn1cc(Br)cn1)N[C@@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C14H14BrN3O2/c15-10-6-16-18(7-10)8-13(19)17-12-5-9-3-1-2-4-11(9)14(12)20/h1-4,6-7,12,14,20H,5,8H2,(H,17,19)/t12-,14-/m1/s1
InChIKeyHJZNRRSJONJQNH-TZMCWYRMSA-N
XLogP1.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide
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1-(4-bromophenyl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-5-methylpyrazole-4-carboxamide
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N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
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N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
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CID 107843288
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2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
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2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
CID 52666297
N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide
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1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide (CID 164637304) is 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide is O=C(Cn1cc(Br)cn1)N[C@@H]1Cc2ccccc2[C@H]1O.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is HJZNRRSJONJQNH-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-10-6-16-18(7-10)8-13(19)17-12-5-9-3-1-2-4-11(9)14(12)20/h1-4,6-7,12,14,20H,5,8H2,(H,17,19)/t12-,14-/m1/s1.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 336.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 164637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).