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

C22H23FN4O — CID 74250613

IUPAC3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCC(c2ccccc2)C1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H23FN4O/c23-19-8-6-17(7-9-19)20-14-21(26-25-20)22(28)24-11-13-27-12-10-18(15-27)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,24,28)(H,25,26)
InChIKeyBEBBOHWJYRDTLL-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.44
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 74250613) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID74250613
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCC(c2ccccc2)C1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H23FN4O/c23-19-8-6-17(7-9-19)20-14-21(26-25-20)22(28)24-11-13-27-12-10-18(15-27)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,24,28)(H,25,26)
InChIKeyBEBBOHWJYRDTLL-UHFFFAOYSA-N
XLogP3.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 74250613) is 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCN1CCC(c2ccccc2)C1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BEBBOHWJYRDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-8-6-17(7-9-19)20-14-21(26-25-20)22(28)24-11-13-27-12-10-18(15-27)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,24,28)(H,25,26).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74250613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).