N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide

C21H16FN3O3 — CID 154860909

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)c3cc(=O)c4cc(F)ccc4o3)c2)n1
InChIInChI=1S/C21H16FN3O3/c1-12-8-13(2)25(24-12)16-5-3-4-15(10-16)23-21(27)20-11-18(26)17-9-14(22)6-7-19(17)28-20/h3-11H,1-2H3,(H,23,27)
InChIKeyCPHUBNNUKXXBIM-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.99
Rot. Bonds3

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide (PubChem CID 154860909) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide
PubChem CID154860909
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)c3cc(=O)c4cc(F)ccc4o3)c2)n1
InChIInChI=1S/C21H16FN3O3/c1-12-8-13(2)25(24-12)16-5-3-4-15(10-16)23-21(27)20-11-18(26)17-9-14(22)6-7-19(17)28-20/h3-11H,1-2H3,(H,23,27)
InChIKeyCPHUBNNUKXXBIM-UHFFFAOYSA-N
XLogP3.99
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78875769
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46975857
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide (CID 154860909) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide is Cc1cc(C)n(-c2cccc(NC(=O)c3cc(=O)c4cc(F)ccc4o3)c2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide?
The InChIKey is CPHUBNNUKXXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-12-8-13(2)25(24-12)16-5-3-4-15(10-16)23-21(27)20-11-18(26)17-9-14(22)6-7-19(17)28-20/h3-11H,1-2H3,(H,23,27).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 154860909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).