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

C16H20FN3O3 — CID 90599086

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(C)(OC)c1ccccc1F
InChIInChI=1S/C16H20FN3O3/c1-16(23-4,12-7-5-6-8-13(12)17)10-18-14(21)11-9-20(2)19-15(11)22-3/h5-9H,10H2,1-4H3,(H,18,21)
InChIKeyWEGKDBAOCCMRCN-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.86
Rot. Bonds6

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

N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 90599086) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID90599086
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(C)(OC)c1ccccc1F
InChIInChI=1S/C16H20FN3O3/c1-16(23-4,12-7-5-6-8-13(12)17)10-18-14(21)11-9-20(2)19-15(11)22-3/h5-9H,10H2,1-4H3,(H,18,21)
InChIKeyWEGKDBAOCCMRCN-UHFFFAOYSA-N
XLogP1.86
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 90599086) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(C)(OC)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is WEGKDBAOCCMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-16(23-4,12-7-5-6-8-13(12)17)10-18-14(21)11-9-20(2)19-15(11)22-3/h5-9H,10H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90599086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).