3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide

C20H19N5O — CID 51101885

IUPAC3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccn(Cc2cccnc2)n1
InChIInChI=1S/C20H19N5O/c26-20(9-12-24-11-7-17-5-1-2-6-18(17)24)22-19-8-13-25(23-19)15-16-4-3-10-21-14-16/h1-8,10-11,13-14H,9,12,15H2,(H,22,23,26)
InChIKeyDVCPFNVYCWJVBW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.31
Rot. Bonds6

About 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide

3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 51101885) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID51101885
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccn(Cc2cccnc2)n1
InChIInChI=1S/C20H19N5O/c26-20(9-12-24-11-7-17-5-1-2-6-18(17)24)22-19-8-13-25(23-19)15-16-4-3-10-21-14-16/h1-8,10-11,13-14H,9,12,15H2,(H,22,23,26)
InChIKeyDVCPFNVYCWJVBW-UHFFFAOYSA-N
XLogP3.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-ylmethyl 3-indol-1-ylpropanoate
CID 23203254
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
N-(4-imidazol-1-ylphenyl)-3-indol-1-ylpropanamide
CID 37193450
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289
3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 84554029
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide
CID 166210562
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19286226
3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 27702119
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide (CID 51101885) is 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide is O=C(CCn1ccc2ccccc21)Nc1ccn(Cc2cccnc2)n1.
What is the InChIKey of 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is DVCPFNVYCWJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(9-12-24-11-7-17-5-1-2-6-18(17)24)22-19-8-13-25(23-19)15-16-4-3-10-21-14-16/h1-8,10-11,13-14H,9,12,15H2,(H,22,23,26).
What are the key properties of 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide?
3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 345.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 51101885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).