3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide

C23H25FN4O2 — CID 2312504

IUPAC3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-9-7-18(8-10-19)22-21(17-28(26-22)20-5-2-1-3-6-20)23(29)25-11-4-12-27-13-15-30-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)
InChIKeySNVOBTFBPRGCRB-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.13
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2312504) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2312504
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-9-7-18(8-10-19)22-21(17-28(26-22)20-5-2-1-3-6-20)23(29)25-11-4-12-27-13-15-30-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)
InChIKeySNVOBTFBPRGCRB-UHFFFAOYSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide (CID 2312504) is 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide is O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is SNVOBTFBPRGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-9-7-18(8-10-19)22-21(17-28(26-22)20-5-2-1-3-6-20)23(29)25-11-4-12-27-13-15-30-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29).
What are the key properties of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2312504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).