N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C16H18FN3O — CID 20892320

IUPACN-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c17-14-7-5-12(6-8-14)9-18-16(21)11-20-10-13-3-1-2-4-15(13)19-20/h5-8,10H,1-4,9,11H2,(H,18,21)
InChIKeyCNGZTOCINOBDTO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892320) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892320
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c17-14-7-5-12(6-8-14)9-18-16(21)11-20-10-13-3-1-2-4-15(13)19-20/h5-8,10H,1-4,9,11H2,(H,18,21)
InChIKeyCNGZTOCINOBDTO-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
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N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
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Ipazilide
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CID 5307808

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892320) is N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is CNGZTOCINOBDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-7-5-12(6-8-14)9-18-16(21)11-20-10-13-3-1-2-4-15(13)19-20/h5-8,10H,1-4,9,11H2,(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).