[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone

C23H24F2N4O2 — CID 69405253

IUPAC[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H24F2N4O2/c24-17-6-7-18(19(25)14-17)21-20(23(26)28-27-21)22(30)16-5-1-3-15(13-16)4-2-8-29-9-11-31-12-10-29/h1,3,5-7,13-14H,2,4,8-12H2,(H3,26,27,28)
InChIKeySRUFKBYJOFFSPN-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.43
Rot. Bonds7

About [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone

[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone (PubChem CID 69405253) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
PubChem CID69405253
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H24F2N4O2/c24-17-6-7-18(19(25)14-17)21-20(23(26)28-27-21)22(30)16-5-1-3-15(13-16)4-2-8-29-9-11-31-12-10-29/h1,3,5-7,13-14H,2,4,8-12H2,(H3,26,27,28)
InChIKeySRUFKBYJOFFSPN-UHFFFAOYSA-N
XLogP3.43
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The IUPAC name of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone (CID 69405253) is [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone.
What is the SMILES notation for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The canonical SMILES for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone is Nc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(CCCN2CCOCC2)c1.
What is the InChIKey of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The InChIKey is SRUFKBYJOFFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c24-17-6-7-18(19(25)14-17)21-20(23(26)28-27-21)22(30)16-5-1-3-15(13-16)4-2-8-29-9-11-31-12-10-29/h1,3,5-7,13-14H,2,4,8-12H2,(H3,26,27,28).
What are the key properties of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone has a molecular weight of 426.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone is sourced from PubChem (CID 69405253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).