N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

C23H25N3O — CID 9141969

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H25N3O/c1-16-22(17(2)26(25-16)21-9-4-3-5-10-21)13-14-23(27)24-20-12-11-18-7-6-8-19(18)15-20/h3-5,9-12,15H,6-8,13-14H2,1-2H3,(H,24,27)
InChIKeyQHAMWXLKUKPDDC-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.55
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (PubChem CID 9141969) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
PubChem CID9141969
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H25N3O/c1-16-22(17(2)26(25-16)21-9-4-3-5-10-21)13-14-23(27)24-20-12-11-18-7-6-8-19(18)15-20/h3-5,9-12,15H,6-8,13-14H2,1-2H3,(H,24,27)
InChIKeyQHAMWXLKUKPDDC-UHFFFAOYSA-N
XLogP4.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9206029
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CID 9399075
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8575963
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
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CID 9403949
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
N-(4-bromo-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9428744
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (CID 9141969) is N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The InChIKey is QHAMWXLKUKPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-22(17(2)26(25-16)21-9-4-3-5-10-21)13-14-23(27)24-20-12-11-18-7-6-8-19(18)15-20/h3-5,9-12,15H,6-8,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 4.55, 5 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-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 9141969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).