N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

C22H22N4O2 — CID 119046435

IUPACN-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(-n2cccn2)ccc1NC(=O)CNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H22N4O2/c1-15-12-19(26-11-3-10-24-26)8-9-20(15)25-21(27)14-23-22(28)18-7-6-16-4-2-5-17(16)13-18/h3,6-13H,2,4-5,14H2,1H3,(H,23,28)(H,25,27)
InChIKeyFMPIRZCXXLONBY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 119046435) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID119046435
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(-n2cccn2)ccc1NC(=O)CNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H22N4O2/c1-15-12-19(26-11-3-10-24-26)8-9-20(15)25-21(27)14-23-22(28)18-7-6-16-4-2-5-17(16)13-18/h3,6-13H,2,4-5,14H2,1H3,(H,23,28)(H,25,27)
InChIKeyFMPIRZCXXLONBY-UHFFFAOYSA-N
XLogP3.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-oxobutanamide
CID 36567036
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
3,5-dimethyl-N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 42039688
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-methylbenzoate
CID 35250339
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46682517
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 119046435) is N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(-n2cccn2)ccc1NC(=O)CNC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is FMPIRZCXXLONBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-12-19(26-11-3-10-24-26)8-9-20(15)25-21(27)14-23-22(28)18-7-6-16-4-2-5-17(16)13-18/h3,6-13H,2,4-5,14H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-pyrazol-1-ylanilino)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 119046435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).