N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C18H19FN6O2 — CID 78879442

IUPACN-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1
InChIInChI=1S/C18H19FN6O2/c1-9-17(10(2)25(4)24-9)15-8-16(23-22-15)18(27)21-14-7-12(20-11(3)26)5-6-13(14)19/h5-8H,1-4H3,(H,20,26)(H,21,27)(H,22,23)
InChIKeyUNPORPGDBHLDJJ-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.78
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78879442) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78879442
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC NameN-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1
InChIInChI=1S/C18H19FN6O2/c1-9-17(10(2)25(4)24-9)15-8-16(23-22-15)18(27)21-14-7-12(20-11(3)26)5-6-13(14)19/h5-8H,1-4H3,(H,20,26)(H,21,27)(H,22,23)
InChIKeyUNPORPGDBHLDJJ-UHFFFAOYSA-N
XLogP2.78
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879764
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78886380
N-(6-methoxy-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71704901
N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 167792498
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879260
N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688
N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879336
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881294
N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 55608701

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78879442) is N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is CC(=O)Nc1ccc(F)c(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UNPORPGDBHLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-9-17(10(2)25(4)24-9)15-8-16(23-22-15)18(27)21-14-7-12(20-11(3)26)5-6-13(14)19/h5-8H,1-4H3,(H,20,26)(H,21,27)(H,22,23).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78879442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).