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

C18H21FN8O — CID 155555588

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccnc(F)c3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C18H21FN8O/c1-12-9-16(27(23-12)14-5-3-2-4-6-14)21-17(28)11-26-24-18(22-25-26)13-7-8-20-15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,28)
InChIKeyCIOBUWQLMLGJEN-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.52
Rot. Bonds5

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

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide (PubChem CID 155555588) has the molecular formula C18H21FN8O and a molecular weight of 384.42 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide
PubChem CID155555588
Molecular FormulaC18H21FN8O
Molecular Weight384.42 g/mol
Exact Mass384.18
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccnc(F)c3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C18H21FN8O/c1-12-9-16(27(23-12)14-5-3-2-4-6-14)21-17(28)11-26-24-18(22-25-26)13-7-8-20-15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,28)
InChIKeyCIOBUWQLMLGJEN-UHFFFAOYSA-N
XLogP2.52
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide (CID 155555588) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccnc(F)c3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide?
The InChIKey is CIOBUWQLMLGJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN8O/c1-12-9-16(27(23-12)14-5-3-2-4-6-14)21-17(28)11-26-24-18(22-25-26)13-7-8-20-15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,28).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide has a molecular weight of 384.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 155555588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).