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

C21H21N3O — CID 155946145

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H21N3O/c1-14(17-11-10-15-8-5-9-18(15)12-17)23-21(25)19-13-22-24-20(19)16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyHGBYXXFHUXBYSA-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.06
Rot. Bonds4

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

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 155946145) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID155946145
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H21N3O/c1-14(17-11-10-15-8-5-9-18(15)12-17)23-21(25)19-13-22-24-20(19)16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyHGBYXXFHUXBYSA-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
CID 94487723
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55953672
2-methylsulfanyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 99644786
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 166233870
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 24688126
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795174
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 51493820

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 155946145) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1-c1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is HGBYXXFHUXBYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14(17-11-10-15-8-5-9-18(15)12-17)23-21(25)19-13-22-24-20(19)16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155946145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).