1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide

C16H15FN4O2 — CID 86980775

IUPAC1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccn(-c3ccccc3F)n2)no1
InChIInChI=1S/C16H15FN4O2/c1-11-9-12(19-23-11)10-20(2)16(22)14-7-8-21(18-14)15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3
InChIKeyZBSVEEQBCTYJFS-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 86980775) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID86980775
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccn(-c3ccccc3F)n2)no1
InChIInChI=1S/C16H15FN4O2/c1-11-9-12(19-23-11)10-20(2)16(22)14-7-8-21(18-14)15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3
InChIKeyZBSVEEQBCTYJFS-UHFFFAOYSA-N
XLogP2.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide (CID 86980775) is 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2ccn(-c3ccccc3F)n2)no1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZBSVEEQBCTYJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-11-9-12(19-23-11)10-20(2)16(22)14-7-8-21(18-14)15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86980775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).