3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide

C21H20N4O — CID 43068767

IUPAC3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C21H20N4O/c26-21(11-10-16-14-22-20-9-4-2-7-18(16)20)24-19-8-3-1-6-17(19)15-25-13-5-12-23-25/h1-9,12-14,22H,10-11,15H2,(H,24,26)
InChIKeySCIIISGXMTXEDJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.98
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 43068767) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID43068767
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C21H20N4O/c26-21(11-10-16-14-22-20-9-4-2-7-18(16)20)24-19-8-3-1-6-17(19)15-25-13-5-12-23-25/h1-9,12-14,22H,10-11,15H2,(H,24,26)
InChIKeySCIIISGXMTXEDJ-UHFFFAOYSA-N
XLogP3.98
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46436600
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19406963
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19286987
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 43068767) is 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is SCIIISGXMTXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(11-10-16-14-22-20-9-4-2-7-18(16)20)24-19-8-3-1-6-17(19)15-25-13-5-12-23-25/h1-9,12-14,22H,10-11,15H2,(H,24,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 43068767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).