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

C20H25N7O2 — CID 155519892

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3cc(C)nn3C3CCCCC3)n2)c1
InChIInChI=1S/C20H25N7O2/c1-14-11-18(27(23-14)16-8-4-3-5-9-16)21-19(28)13-26-24-20(22-25-26)15-7-6-10-17(12-15)29-2/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,21,28)
InChIKeyLFFCOBIBLDHSAX-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.00
Rot. Bonds6

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

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 155519892) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID155519892
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3cc(C)nn3C3CCCCC3)n2)c1
InChIInChI=1S/C20H25N7O2/c1-14-11-18(27(23-14)16-8-4-3-5-9-16)21-19(28)13-26-24-20(22-25-26)15-7-6-10-17(12-15)29-2/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,21,28)
InChIKeyLFFCOBIBLDHSAX-UHFFFAOYSA-N
XLogP3.00
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (CID 155519892) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide is COc1cccc(-c2nnn(CC(=O)Nc3cc(C)nn3C3CCCCC3)n2)c1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is LFFCOBIBLDHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-14-11-18(27(23-14)16-8-4-3-5-9-16)21-19(28)13-26-24-20(22-25-26)15-7-6-10-17(12-15)29-2/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,21,28).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 3.00, 6 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-(3-methoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 155519892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).