1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C17H21FN4O3 — CID 25284342

IUPAC1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21FN4O3/c1-24-15-12-22(14-4-2-13(18)3-5-14)20-16(15)17(23)19-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,19,23)
InChIKeyLDPBIBFIDVTOMP-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.08
Rot. Bonds6

About 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 25284342) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID25284342
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21FN4O3/c1-24-15-12-22(14-4-2-13(18)3-5-14)20-16(15)17(23)19-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,19,23)
InChIKeyLDPBIBFIDVTOMP-UHFFFAOYSA-N
XLogP1.08
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 25284342) is 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is LDPBIBFIDVTOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-24-15-12-22(14-4-2-13(18)3-5-14)20-16(15)17(23)19-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,19,23).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 25284342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).