N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide

C22H21FN4O — CID 55950802

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCn3ccc4ccccc43)cc2F)n1
InChIInChI=1S/C22H21FN4O/c1-15-13-16(2)27(25-15)21-8-7-18(14-19(21)23)24-22(28)10-12-26-11-9-17-5-3-4-6-20(17)26/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,28)
InChIKeyGLDCPRPTFMOTCM-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.61
Rot. Bonds5

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide (PubChem CID 55950802) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide
PubChem CID55950802
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCn3ccc4ccccc43)cc2F)n1
InChIInChI=1S/C22H21FN4O/c1-15-13-16(2)27(25-15)21-8-7-18(14-19(21)23)24-22(28)10-12-26-11-9-17-5-3-4-6-20(17)26/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,28)
InChIKeyGLDCPRPTFMOTCM-UHFFFAOYSA-N
XLogP4.61
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]butanamide
CID 55817608
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55950292
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]butanamide
CID 55891133
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
CID 111536844
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate
CID 40667880
N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
CID 146022047
N-(4-imidazol-1-ylphenyl)-3-indol-1-ylpropanamide
CID 37193450

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide (CID 55950802) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide is Cc1cc(C)n(-c2ccc(NC(=O)CCn3ccc4ccccc43)cc2F)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide?
The InChIKey is GLDCPRPTFMOTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15-13-16(2)27(25-15)21-8-7-18(14-19(21)23)24-22(28)10-12-26-11-9-17-5-3-4-6-20(17)26/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide has a molecular weight of 376.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 55950802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).