3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide

C22H21ClN4O — CID 146123537

IUPAC3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H21ClN4O/c1-26-21(12-13-24-26)25-22(28)11-8-17-15-27(20-5-3-2-4-19(17)20)14-16-6-9-18(23)10-7-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,25,28)
InChIKeyRVWALGDHXKTFNR-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.65
Rot. Bonds6

About 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide

3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide (PubChem CID 146123537) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide
PubChem CID146123537
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H21ClN4O/c1-26-21(12-13-24-26)25-22(28)11-8-17-15-27(20-5-3-2-4-19(17)20)14-16-6-9-18(23)10-7-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,25,28)
InChIKeyRVWALGDHXKTFNR-UHFFFAOYSA-N
XLogP4.65
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53319647
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(2-methylpyrazol-3-yl)acetamide
CID 57396206
3-(4-Chloro-phenyl)-1,8-dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10458486
N-[6-chloro-5-(4-pyridyl)-1H-indazol-3-yl]butanamide
CID 22319680
8-[3-(3-Amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118408129
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide
CID 118560488
5-chloro-1'-(4-chlorobenzyl)-1-methyl-5',7'-dihydrospiro[indoline-3,4'-pyrazolo[3,4-b]pyridine]-2,6'(1'H)-dione
CID 135654610
(4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940673
(3R)-5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136387588
5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136934942
3-[6-Chloro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451166

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide (CID 146123537) is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is RVWALGDHXKTFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-26-21(12-13-24-26)25-22(28)11-8-17-15-27(20-5-3-2-4-19(17)20)14-16-6-9-18(23)10-7-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,25,28).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide?
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 392.89 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 146123537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).