1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C18H23FN4O3 — CID 19269279

IUPAC1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O3/c19-15-2-4-16(5-3-15)26-14-23-9-6-17(21-23)18(24)20-7-1-8-22-10-12-25-13-11-22/h2-6,9H,1,7-8,10-14H2,(H,20,24)
InChIKeyKHTCCBILEHDAHR-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.51
Rot. Bonds8

About 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 19269279) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID19269279
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O3/c19-15-2-4-16(5-3-15)26-14-23-9-6-17(21-23)18(24)20-7-1-8-22-10-12-25-13-11-22/h2-6,9H,1,7-8,10-14H2,(H,20,24)
InChIKeyKHTCCBILEHDAHR-UHFFFAOYSA-N
XLogP1.51
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137635364
N-[4-[4-[2-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137649435
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
2-(((4-(Difluoromethoxy)phenyl)amino)methyl)-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575059
1-benzyl-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299021
4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299163
4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 130299369
4-fluoro-1-[(5-fluoro-2-pyridinyl)methyl]-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299390
2-(4-Fluorophenoxy)-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazine-2-carbonyl}piperidin-4-YL)acetamide
CID 91908315
1-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 25284334

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 19269279) is 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is KHTCCBILEHDAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c19-15-2-4-16(5-3-15)26-14-23-9-6-17(21-23)18(24)20-7-1-8-22-10-12-25-13-11-22/h2-6,9H,1,7-8,10-14H2,(H,20,24).
What are the key properties of 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19269279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).