2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

C17H18FN5O — CID 71873510

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCc1nn(C)c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C17H18FN5O/c1-11-12(2)20-22(3)17(11)19-16(24)10-14-8-9-23(21-14)15-6-4-13(18)5-7-15/h4-9H,10H2,1-3H3,(H,19,24)
InChIKeyBMNLBXHSCPSPCY-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (PubChem CID 71873510) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
PubChem CID71873510
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCc1nn(C)c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C17H18FN5O/c1-11-12(2)20-22(3)17(11)19-16(24)10-14-8-9-23(21-14)15-6-4-13(18)5-7-15/h4-9H,10H2,1-3H3,(H,19,24)
InChIKeyBMNLBXHSCPSPCY-UHFFFAOYSA-N
XLogP2.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (CID 71873510) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is Cc1nn(C)c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1C.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The InChIKey is BMNLBXHSCPSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11-12(2)20-22(3)17(11)19-16(24)10-14-8-9-23(21-14)15-6-4-13(18)5-7-15/h4-9H,10H2,1-3H3,(H,19,24).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71873510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).