N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

C20H25N7O — CID 155525534

IUPACN-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(CC2CCCCC2)n1
InChIInChI=1S/C20H25N7O/c1-15-12-18(26(23-15)13-16-8-4-2-5-9-16)21-19(28)14-27-24-20(22-25-27)17-10-6-3-7-11-17/h3,6-7,10-12,16H,2,4-5,8-9,13-14H2,1H3,(H,21,28)
InChIKeyLBTXRHYBGISSNY-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 155525534) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID155525534
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(CC2CCCCC2)n1
InChIInChI=1S/C20H25N7O/c1-15-12-18(26(23-15)13-16-8-4-2-5-9-16)21-19(28)14-27-24-20(22-25-27)17-10-6-3-7-11-17/h3,6-7,10-12,16H,2,4-5,8-9,13-14H2,1H3,(H,21,28)
InChIKeyLBTXRHYBGISSNY-UHFFFAOYSA-N
XLogP3.06
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 155525534) is N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(CC2CCCCC2)n1.
What is the InChIKey of N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is LBTXRHYBGISSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-15-12-18(26(23-15)13-16-8-4-2-5-9-16)21-19(28)14-27-24-20(22-25-27)17-10-6-3-7-11-17/h3,6-7,10-12,16H,2,4-5,8-9,13-14H2,1H3,(H,21,28).
What are the key properties of N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 379.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 155525534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).