N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C15H18FN3O3 — CID 90622918

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(OC)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O3/c1-19-9-12(15(18-19)22-3)14(20)17-8-13(21-2)10-5-4-6-11(16)7-10/h4-7,9,13H,8H2,1-3H3,(H,17,20)
InChIKeyRRIQVRAJFCYABE-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 90622918) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID90622918
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(OC)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O3/c1-19-9-12(15(18-19)22-3)14(20)17-8-13(21-2)10-5-4-6-11(16)7-10/h4-7,9,13H,8H2,1-3H3,(H,17,20)
InChIKeyRRIQVRAJFCYABE-UHFFFAOYSA-N
XLogP1.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 90622918) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(OC)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is RRIQVRAJFCYABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-19-9-12(15(18-19)22-3)14(20)17-8-13(21-2)10-5-4-6-11(16)7-10/h4-7,9,13H,8H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90622918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).