3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide

C20H17FN4O — CID 47835724

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccn[nH]1
InChIInChI=1S/C20H17FN4O/c21-14-7-5-13(6-8-14)20-16(15-3-1-2-4-17(15)23-20)9-10-19(26)24-18-11-12-22-25-18/h1-8,11-12,23H,9-10H2,(H2,22,24,25,26)
InChIKeySDXKHDJDJZBWJN-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.27
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 47835724) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
PubChem CID47835724
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccn[nH]1
InChIInChI=1S/C20H17FN4O/c21-14-7-5-13(6-8-14)20-16(15-3-1-2-4-17(15)23-20)9-10-19(26)24-18-11-12-22-25-18/h1-8,11-12,23H,9-10H2,(H2,22,24,25,26)
InChIKeySDXKHDJDJZBWJN-UHFFFAOYSA-N
XLogP4.27
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide (CID 47835724) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccn[nH]1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is SDXKHDJDJZBWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-14-7-5-13(6-8-14)20-16(15-3-1-2-4-17(15)23-20)9-10-19(26)24-18-11-12-22-25-18/h1-8,11-12,23H,9-10H2,(H2,22,24,25,26).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 348.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 47835724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).