N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide

C19H17N3O2 — CID 75470175

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1-n1cccn1
InChIInChI=1S/C19H17N3O2/c23-17-12-13-6-1-2-7-14(13)18(17)21-19(24)15-8-3-4-9-16(15)22-11-5-10-20-22/h1-11,17-18,23H,12H2,(H,21,24)/t17-,18+/m0/s1
InChIKeyLKPFBJIKSZBRDO-ZWKOTPCHSA-N
MW319.36 g/mol
LogP2.26
Rot. Bonds3

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide (PubChem CID 75470175) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide
PubChem CID75470175
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1-n1cccn1
InChIInChI=1S/C19H17N3O2/c23-17-12-13-6-1-2-7-14(13)18(17)21-19(24)15-8-3-4-9-16(15)22-11-5-10-20-22/h1-11,17-18,23H,12H2,(H,21,24)/t17-,18+/m0/s1
InChIKeyLKPFBJIKSZBRDO-ZWKOTPCHSA-N
XLogP2.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide (CID 75470175) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1-n1cccn1.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide?
The InChIKey is LKPFBJIKSZBRDO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-12-13-6-1-2-7-14(13)18(17)21-19(24)15-8-3-4-9-16(15)22-11-5-10-20-22/h1-11,17-18,23H,12H2,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 75470175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).