N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide

C21H19FN4O — CID 46951674

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)n2C
InChIInChI=1S/C21H19FN4O/c1-14-6-7-19-16(8-14)10-20(25(19)2)21(27)24-18-11-23-26(13-18)12-15-4-3-5-17(22)9-15/h3-11,13H,12H2,1-2H3,(H,24,27)
InChIKeyWSDPMMWAQKTLFR-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.12
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide (PubChem CID 46951674) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide
PubChem CID46951674
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)n2C
InChIInChI=1S/C21H19FN4O/c1-14-6-7-19-16(8-14)10-20(25(19)2)21(27)24-18-11-23-26(13-18)12-15-4-3-5-17(22)9-15/h3-11,13H,12H2,1-2H3,(H,24,27)
InChIKeyWSDPMMWAQKTLFR-UHFFFAOYSA-N
XLogP4.12
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976116
4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475916
4-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475123
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262034
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872
5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
CID 131950386
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534484

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide (CID 46951674) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide is Cc1ccc2c(c1)cc(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)n2C.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide?
The InChIKey is WSDPMMWAQKTLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-6-7-19-16(8-14)10-20(25(19)2)21(27)24-18-11-23-26(13-18)12-15-4-3-5-17(22)9-15/h3-11,13H,12H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 46951674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).