3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide

C19H16BrN3O — CID 52538046

IUPAC3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2ccccc21)c1cccc(-n2cc(Br)cn2)c1
InChIInChI=1S/C19H16BrN3O/c20-15-11-21-23(12-15)16-6-3-5-14(10-16)19(24)22-18-9-8-13-4-1-2-7-17(13)18/h1-7,10-12,18H,8-9H2,(H,22,24)/t18-/m0/s1
InChIKeyVAXPGHZKQNHRQI-SFHVURJKSA-N
MW382.26 g/mol
LogP4.05
Rot. Bonds3

About 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide

3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 52538046) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID52538046
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2ccccc21)c1cccc(-n2cc(Br)cn2)c1
InChIInChI=1S/C19H16BrN3O/c20-15-11-21-23(12-15)16-6-3-5-14(10-16)19(24)22-18-9-8-13-4-1-2-7-17(13)18/h1-7,10-12,18H,8-9H2,(H,22,24)/t18-/m0/s1
InChIKeyVAXPGHZKQNHRQI-SFHVURJKSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-bromopyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 47081921
4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
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N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
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2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
2-(2,3-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)quinoxaline-6-carboxamide
CID 146562170
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 52538046) is 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@H]1CCc2ccccc21)c1cccc(-n2cc(Br)cn2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is VAXPGHZKQNHRQI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-15-11-21-23(12-15)16-6-3-5-14(10-16)19(24)22-18-9-8-13-4-1-2-7-17(13)18/h1-7,10-12,18H,8-9H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 382.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 52538046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).