2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide

C19H17FN6O — CID 46999122

IUPAC2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C19H17FN6O/c1-13-10-21-25(11-14-5-4-6-15(20)9-14)19(13)22-18(27)12-26-23-16-7-2-3-8-17(16)24-26/h2-10H,11-12H2,1H3,(H,22,27)
InChIKeyMDEWMYCNKHQLDT-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.76
Rot. Bonds5

About 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide

2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide (PubChem CID 46999122) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide
PubChem CID46999122
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C19H17FN6O/c1-13-10-21-25(11-14-5-4-6-15(20)9-14)19(13)22-18(27)12-26-23-16-7-2-3-8-17(16)24-26/h2-10H,11-12H2,1H3,(H,22,27)
InChIKeyMDEWMYCNKHQLDT-UHFFFAOYSA-N
XLogP2.76
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide (CID 46999122) is 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide is Cc1cnn(Cc2cccc(F)c2)c1NC(=O)Cn1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The InChIKey is MDEWMYCNKHQLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-13-10-21-25(11-14-5-4-6-15(20)9-14)19(13)22-18(27)12-26-23-16-7-2-3-8-17(16)24-26/h2-10H,11-12H2,1H3,(H,22,27).
What are the key properties of 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide has a molecular weight of 364.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 46999122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).