5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide

C22H23N3O2 — CID 100674495

IUPAC5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC[C@@]2(O)CCc3ccccc32)c1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-25-20(13-16-7-3-2-4-8-16)18(14-24-25)21(26)23-15-22(27)12-11-17-9-5-6-10-19(17)22/h2-10,14,27H,11-13,15H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyDBLUXKQQGMWVIE-QFIPXVFZSA-N
MW361.45 g/mol
LogP2.57
Rot. Bonds5

About 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide

5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 100674495) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID100674495
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC[C@@]2(O)CCc3ccccc32)c1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-25-20(13-16-7-3-2-4-8-16)18(14-24-25)21(26)23-15-22(27)12-11-17-9-5-6-10-19(17)22/h2-10,14,27H,11-13,15H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyDBLUXKQQGMWVIE-QFIPXVFZSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-[(8-hydroxyspiro[3.4]octan-7-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 166281887
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5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
CID 166233967
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
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N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066
5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 166233654
5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 166341062
2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97240651
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 111110498
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 100674495) is 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC[C@@]2(O)CCc3ccccc32)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DBLUXKQQGMWVIE-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25-20(13-16-7-3-2-4-8-16)18(14-24-25)21(26)23-15-22(27)12-11-17-9-5-6-10-19(17)22/h2-10,14,27H,11-13,15H2,1H3,(H,23,26)/t22-/m0/s1.
What are the key properties of 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide?
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 100674495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).