N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide

C20H17F2N5O — CID 126740623

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21
InChIInChI=1S/C20H17F2N5O/c1-26-18-5-3-13(8-15(18)11-23-26)10-20(28)24-19-6-7-27(25-19)12-14-2-4-16(21)17(22)9-14/h2-9,11H,10,12H2,1H3,(H,24,25,28)
InChIKeyGQWJSRCPJPOCIP-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.28
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide (PubChem CID 126740623) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
PubChem CID126740623
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21
InChIInChI=1S/C20H17F2N5O/c1-26-18-5-3-13(8-15(18)11-23-26)10-20(28)24-19-6-7-27(25-19)12-14-2-4-16(21)17(22)9-14/h2-9,11H,10,12H2,1H3,(H,24,25,28)
InChIKeyGQWJSRCPJPOCIP-UHFFFAOYSA-N
XLogP3.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]benzamide
CID 25164676
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
US10513523, Example 190
CID 122656171
(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 72736045
N-(4-fluoro-1-methyl-1H-indazol-3-yl)-4-methylbenzamide
CID 2742951
2-(1-adamantyl)-N-(4-fluoro-1-methyl-1H-indazol-3-yl)acetamide
CID 2810249
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-4-fluorobenzamide
CID 2813217
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide
CID 24936982
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 24936984
2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24937240
3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24937242
2,2-dimethyl-3-phenyl-3-(1-phenylindazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24937362

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide (CID 126740623) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide is Cn1ncc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide?
The InChIKey is GQWJSRCPJPOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-26-18-5-3-13(8-15(18)11-23-26)10-20(28)24-19-6-7-27(25-19)12-14-2-4-16(21)17(22)9-14/h2-9,11H,10,12H2,1H3,(H,24,25,28).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide has a molecular weight of 381.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 126740623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).