N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide

C18H18FN5O — CID 165129966

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3cnn(C4CCC4)c3)c2F)cn1
InChIInChI=1S/C18H18FN5O/c1-23-10-12(8-20-23)15-6-3-7-16(17(15)19)18(25)22-13-9-21-24(11-13)14-4-2-5-14/h3,6-11,14H,2,4-5H2,1H3,(H,22,25)
InChIKeyXBTMBRMHZRXXHS-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.40
Rot. Bonds4

About N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide

N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide (PubChem CID 165129966) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide
PubChem CID165129966
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3cnn(C4CCC4)c3)c2F)cn1
InChIInChI=1S/C18H18FN5O/c1-23-10-12(8-20-23)15-6-3-7-16(17(15)19)18(25)22-13-9-21-24(11-13)14-4-2-5-14/h3,6-11,14H,2,4-5H2,1H3,(H,22,25)
InChIKeyXBTMBRMHZRXXHS-UHFFFAOYSA-N
XLogP3.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide (CID 165129966) is N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide is Cn1cc(-c2cccc(C(=O)Nc3cnn(C4CCC4)c3)c2F)cn1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is XBTMBRMHZRXXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-23-10-12(8-20-23)15-6-3-7-16(17(15)19)18(25)22-13-9-21-24(11-13)14-4-2-5-14/h3,6-11,14H,2,4-5H2,1H3,(H,22,25).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide?
N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 165129966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).