1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide

C18H13FN4O2 — CID 86980706

IUPAC1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccn(-c4ccccc4F)n3)cc2o1
InChIInChI=1S/C18H13FN4O2/c1-11-20-14-7-6-12(10-17(14)25-11)21-18(24)15-8-9-23(22-15)16-5-3-2-4-13(16)19/h2-10H,1H3,(H,21,24)
InChIKeyGRGFNRMCCQVRNP-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.71
Rot. Bonds3

About 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide (PubChem CID 86980706) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
PubChem CID86980706
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccn(-c4ccccc4F)n3)cc2o1
InChIInChI=1S/C18H13FN4O2/c1-11-20-14-7-6-12(10-17(14)25-11)21-18(24)15-8-9-23(22-15)16-5-3-2-4-13(16)19/h2-10H,1H3,(H,21,24)
InChIKeyGRGFNRMCCQVRNP-UHFFFAOYSA-N
XLogP3.71
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
1-(2-fluorophenyl)-N-(2-methyl-1H-indol-5-yl)pyrazole-3-carboxamide
CID 78866415
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
CID 110910871
N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854
1-(2-fluorophenyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyrazole-3-carboxamide
CID 99586713
N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 78868746
N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651530
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60610195
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-pyrazole-3-carboxamide
CID 86930357

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide (CID 86980706) is 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide is Cc1nc2ccc(NC(=O)c3ccn(-c4ccccc4F)n3)cc2o1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
The InChIKey is GRGFNRMCCQVRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-20-14-7-6-12(10-17(14)25-11)21-18(24)15-8-9-23(22-15)16-5-3-2-4-13(16)19/h2-10H,1H3,(H,21,24).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide has a molecular weight of 336.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 86980706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).