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

C21H17FN4O2 — CID 58091114

IUPACN-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Cc1cn[nH]c1C(=O)Nc1ccc(F)cc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H17FN4O2/c22-15-5-7-16(8-6-15)25-21(28)20-14(12-24-26-20)10-17(27)9-13-11-23-19-4-2-1-3-18(13)19/h1-8,11-12,23H,9-10H2,(H,24,26)(H,25,28)
InChIKeyHPGPINONXDAPDM-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.64
Rot. Bonds6

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

N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide (PubChem CID 58091114) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide
PubChem CID58091114
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Cc1cn[nH]c1C(=O)Nc1ccc(F)cc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H17FN4O2/c22-15-5-7-16(8-6-15)25-21(28)20-14(12-24-26-20)10-17(27)9-13-11-23-19-4-2-1-3-18(13)19/h1-8,11-12,23H,9-10H2,(H,24,26)(H,25,28)
InChIKeyHPGPINONXDAPDM-UHFFFAOYSA-N
XLogP3.64
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide (CID 58091114) is N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide is O=C(Cc1cn[nH]c1C(=O)Nc1ccc(F)cc1)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HPGPINONXDAPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-15-5-7-16(8-6-15)25-21(28)20-14(12-24-26-20)10-17(27)9-13-11-23-19-4-2-1-3-18(13)19/h1-8,11-12,23H,9-10H2,(H,24,26)(H,25,28).
What are the key properties of N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[3-(1H-indol-3-yl)-2-oxopropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58091114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).