N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide

C22H19FN4O2 — CID 58091078

IUPACN-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESCn1cc(CC(=O)Cc2cn[nH]c2C(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H19FN4O2/c1-27-13-15(19-4-2-3-5-20(19)27)11-18(28)10-14-12-24-26-21(14)22(29)25-17-8-6-16(23)7-9-17/h2-9,12-13H,10-11H2,1H3,(H,24,26)(H,25,29)
InChIKeyIVDGXAHPLYCBOZ-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.65
Rot. Bonds6

About N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide (PubChem CID 58091078) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide
PubChem CID58091078
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESCn1cc(CC(=O)Cc2cn[nH]c2C(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H19FN4O2/c1-27-13-15(19-4-2-3-5-20(19)27)11-18(28)10-14-12-24-26-21(14)22(29)25-17-8-6-16(23)7-9-17/h2-9,12-13H,10-11H2,1H3,(H,24,26)(H,25,29)
InChIKeyIVDGXAHPLYCBOZ-UHFFFAOYSA-N
XLogP3.65
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide (CID 58091078) is N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide is Cn1cc(CC(=O)Cc2cn[nH]c2C(=O)Nc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IVDGXAHPLYCBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-27-13-15(19-4-2-3-5-20(19)27)11-18(28)10-14-12-24-26-21(14)22(29)25-17-8-6-16(23)7-9-17/h2-9,12-13H,10-11H2,1H3,(H,24,26)(H,25,29).
What are the key properties of N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[3-(1-methylindol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58091078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).