5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide

C16H20FN3O3 — CID 70708292

IUPAC5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C16H20FN3O3/c1-22-8-6-20(7-9-23-2)16(21)14-11-18-19-15(14)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyMMQRDMUPSMCXTE-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.95
Rot. Bonds8

About 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide

5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide (PubChem CID 70708292) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
PubChem CID70708292
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C16H20FN3O3/c1-22-8-6-20(7-9-23-2)16(21)14-11-18-19-15(14)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyMMQRDMUPSMCXTE-UHFFFAOYSA-N
XLogP1.95
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide (CID 70708292) is 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide is COCCN(CCOC)C(=O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MMQRDMUPSMCXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-22-8-6-20(7-9-23-2)16(21)14-11-18-19-15(14)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70708292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).