N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C19H22FN7O — CID 155521112

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C19H22FN7O/c1-13-11-17(27(23-13)16-5-3-2-4-6-16)21-18(28)12-26-24-19(22-25-26)14-7-9-15(20)10-8-14/h7-11,16H,2-6,12H2,1H3,(H,21,28)
InChIKeyZEGJEXDVDXJHTN-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.13
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 155521112) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID155521112
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C19H22FN7O/c1-13-11-17(27(23-13)16-5-3-2-4-6-16)21-18(28)12-26-24-19(22-25-26)14-7-9-15(20)10-8-14/h7-11,16H,2-6,12H2,1H3,(H,21,28)
InChIKeyZEGJEXDVDXJHTN-UHFFFAOYSA-N
XLogP3.13
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 155521112) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is ZEGJEXDVDXJHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-13-11-17(27(23-13)16-5-3-2-4-6-16)21-18(28)12-26-24-19(22-25-26)14-7-9-15(20)10-8-14/h7-11,16H,2-6,12H2,1H3,(H,21,28).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 155521112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).