[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone

C23H25FN4O2 — CID 69404648

IUPAC[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H25FN4O2/c24-19-8-6-17(7-9-19)21-20(23(25)27-26-21)22(29)18-5-1-3-16(15-18)4-2-10-28-11-13-30-14-12-28/h1,3,5-9,15H,2,4,10-14H2,(H3,25,26,27)
InChIKeyVHXPRLVKTLQUHM-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.29
Rot. Bonds7

About [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone (PubChem CID 69404648) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
PubChem CID69404648
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H25FN4O2/c24-19-8-6-17(7-9-19)21-20(23(25)27-26-21)22(29)18-5-1-3-16(15-18)4-2-10-28-11-13-30-14-12-28/h1,3,5-9,15H,2,4,10-14H2,(H3,25,26,27)
InChIKeyVHXPRLVKTLQUHM-UHFFFAOYSA-N
XLogP3.29
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone (CID 69404648) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCCN2CCOCC2)c1.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The InChIKey is VHXPRLVKTLQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-8-6-17(7-9-19)21-20(23(25)27-26-21)22(29)18-5-1-3-16(15-18)4-2-10-28-11-13-30-14-12-28/h1,3,5-9,15H,2,4,10-14H2,(H3,25,26,27).
What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone has a molecular weight of 408.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone is sourced from PubChem (CID 69404648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).