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

C23H26FN5O2 — CID 69403993

IUPAC[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(NCCCN2CCOCC2)c1
InChIInChI=1S/C23H26FN5O2/c24-18-7-5-16(6-8-18)21-20(23(25)28-27-21)22(30)17-3-1-4-19(15-17)26-9-2-10-29-11-13-31-14-12-29/h1,3-8,15,26H,2,9-14H2,(H3,25,27,28)
InChIKeyMFRQJWOAGCVQJX-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.16
Rot. Bonds8

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

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone (PubChem CID 69403993) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone
PubChem CID69403993
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(NCCCN2CCOCC2)c1
InChIInChI=1S/C23H26FN5O2/c24-18-7-5-16(6-8-18)21-20(23(25)28-27-21)22(30)17-3-1-4-19(15-17)26-9-2-10-29-11-13-31-14-12-29/h1,3-8,15,26H,2,9-14H2,(H3,25,27,28)
InChIKeyMFRQJWOAGCVQJX-UHFFFAOYSA-N
XLogP3.16
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 155516442
3-(dimethylamino)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
CID 75528502
3-(Dimethylamino)-N-({1-[3-(4-fluorophenyl)-1H-pyrazol-5-YL]piperidin-4-YL}methyl)benzamide
CID 91904870
3-(4-fluorophenyl)-N-(3-(6-morpholinopyridazin-3-yl)phenyl)-1H-pyrazole-5-carboxamide
CID 45498040
3-Acetamido-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-YL]piperidin-3-YL}benzamide
CID 91887897
3-Amino-6-(4-morpholin-4-ylphenyl)-1,5-dihydropyrazolo[4,3-c]pyridin-4-one
CID 136099293
5-Amino-1-(4-fluorophenyl)-4-[3-{3-(morpholin-4-yl)propylamino}benzoyl]pyrazole
CID 9888541
[5-Amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone
CID 18728365
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
CID 69404648
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
CID 69405253
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-aminophenyl)methanone
CID 69557399
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylprop-1-ynyl)phenyl]methanone
CID 70101142

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone (CID 69403993) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(NCCCN2CCOCC2)c1.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone?
The InChIKey is MFRQJWOAGCVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-18-7-5-16(6-8-18)21-20(23(25)28-27-21)22(30)17-3-1-4-19(15-17)26-9-2-10-29-11-13-31-14-12-29/h1,3-8,15,26H,2,9-14H2,(H3,25,27,28).
What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone?
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropylamino)phenyl]methanone has a molecular weight of 423.49 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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-ylpropylamino)phenyl]methanone is sourced from PubChem (CID 69403993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).