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

C21H21N3O2 — CID 55953672

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(19-14-23-24-20(19)16-5-2-1-3-6-16)22-11-12-26-18-10-9-15-7-4-8-17(15)13-18/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2,(H,22,25)(H,23,24)
InChIKeyIQIJYJWIWIELLH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.37
Rot. Bonds6

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

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 55953672) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID55953672
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(19-14-23-24-20(19)16-5-2-1-3-6-16)22-11-12-26-18-10-9-15-7-4-8-17(15)13-18/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2,(H,22,25)(H,23,24)
InChIKeyIQIJYJWIWIELLH-UHFFFAOYSA-N
XLogP3.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 155946145
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51123921
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide
CID 47064701
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 55953672) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCCOc1ccc2c(c1)CCC2)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is IQIJYJWIWIELLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(19-14-23-24-20(19)16-5-2-1-3-6-16)22-11-12-26-18-10-9-15-7-4-8-17(15)13-18/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55953672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).