1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C17H21FN4O3 — CID 19269470

IUPAC1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O3/c18-14-1-3-15(4-2-14)25-13-22-7-5-16(20-22)17(23)19-6-8-21-9-11-24-12-10-21/h1-5,7H,6,8-13H2,(H,19,23)
InChIKeyWVUWRDMDOVDYFG-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.12
Rot. Bonds7

About 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 19269470) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID19269470
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O3/c18-14-1-3-15(4-2-14)25-13-22-7-5-16(20-22)17(23)19-6-8-21-9-11-24-12-10-21/h1-5,7H,6,8-13H2,(H,19,23)
InChIKeyWVUWRDMDOVDYFG-UHFFFAOYSA-N
XLogP1.12
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 19269470) is 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is O=C(NCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is WVUWRDMDOVDYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c18-14-1-3-15(4-2-14)25-13-22-7-5-16(20-22)17(23)19-6-8-21-9-11-24-12-10-21/h1-5,7H,6,8-13H2,(H,19,23).
What are the key properties of 1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.12, 7 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-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19269470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).