1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide

C16H15FN4O2 — CID 38303683

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccn(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C16H15FN4O2/c1-11-9-13(19-23-11)10-20(2)16(22)15-7-8-21(18-15)14-5-3-12(17)4-6-14/h3-9H,10H2,1-2H3
InChIKeyNHFKCRXHFIJSMS-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.58
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 38303683) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID38303683
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccn(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C16H15FN4O2/c1-11-9-13(19-23-11)10-20(2)16(22)15-7-8-21(18-15)14-5-3-12(17)4-6-14/h3-9H,10H2,1-2H3
InChIKeyNHFKCRXHFIJSMS-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-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide (CID 38303683) is 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2ccn(-c3ccc(F)cc3)n2)no1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is NHFKCRXHFIJSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-11-9-13(19-23-11)10-20(2)16(22)15-7-8-21(18-15)14-5-3-12(17)4-6-14/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide?
1-(4-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-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 38303683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).