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

C19H17N3O2 — CID 74240884

IUPACN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C19H17N3O2/c23-17-9-13-4-1-2-7-16(13)18(17)22-19(24)14-6-3-5-12(8-14)15-10-20-21-11-15/h1-8,10-11,17-18,23H,9H2,(H,20,21)(H,22,24)/t17-,18-/m1/s1
InChIKeyCSUPICUHXAIQPL-QZTJIDSGSA-N
MW319.36 g/mol
LogP2.46
Rot. Bonds3

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

N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 74240884) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide
PubChem CID74240884
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C19H17N3O2/c23-17-9-13-4-1-2-7-16(13)18(17)22-19(24)14-6-3-5-12(8-14)15-10-20-21-11-15/h1-8,10-11,17-18,23H,9H2,(H,20,21)(H,22,24)/t17-,18-/m1/s1
InChIKeyCSUPICUHXAIQPL-QZTJIDSGSA-N
XLogP2.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide (CID 74240884) is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide is O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is CSUPICUHXAIQPL-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-9-13-4-1-2-7-16(13)18(17)22-19(24)14-6-3-5-12(8-14)15-10-20-21-11-15/h1-8,10-11,17-18,23H,9H2,(H,20,21)(H,22,24)/t17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide?
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 74240884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).