N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

C22H23N3O — CID 91004769

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NC3Cc4ccccc4C3)cc2C)cc1
InChIInChI=1S/C22H23N3O/c1-15-7-9-17(10-8-15)14-25-16(2)11-21(24-25)22(26)23-20-12-18-5-3-4-6-19(18)13-20/h3-11,20H,12-14H2,1-2H3,(H,23,26)
InChIKeyORXUPACHJOBEJJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.45
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 91004769) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID91004769
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NC3Cc4ccccc4C3)cc2C)cc1
InChIInChI=1S/C22H23N3O/c1-15-7-9-17(10-8-15)14-25-16(2)11-21(24-25)22(26)23-20-12-18-5-3-4-6-19(18)13-20/h3-11,20H,12-14H2,1-2H3,(H,23,26)
InChIKeyORXUPACHJOBEJJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213307
1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213157
1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
CID 146962352
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 90967948
N-(2,3-dihydro-1H-inden-2-yl)-2-hydroxy-5-methylbenzamide
CID 104693636
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)furan-2-carboxamide
CID 104693605
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
CID 104693584
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893
1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
1-[(4-bromophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82307972

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (CID 91004769) is N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1ccc(Cn2nc(C(=O)NC3Cc4ccccc4C3)cc2C)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is ORXUPACHJOBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-7-9-17(10-8-15)14-25-16(2)11-21(24-25)22(26)23-20-12-18-5-3-4-6-19(18)13-20/h3-11,20H,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91004769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).