N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide

C16H23N7O — CID 155536013

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(C3CC3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C16H23N7O/c1-11-9-14(23(19-11)13-5-3-2-4-6-13)17-15(24)10-22-20-16(18-21-22)12-7-8-12/h9,12-13H,2-8,10H2,1H3,(H,17,24)
InChIKeyUSEYTLZBTGKWTN-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.20
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide (PubChem CID 155536013) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide
PubChem CID155536013
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(C3CC3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C16H23N7O/c1-11-9-14(23(19-11)13-5-3-2-4-6-13)17-15(24)10-22-20-16(18-21-22)12-7-8-12/h9,12-13H,2-8,10H2,1H3,(H,17,24)
InChIKeyUSEYTLZBTGKWTN-UHFFFAOYSA-N
XLogP2.20
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide (CID 155536013) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(C3CC3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide?
The InChIKey is USEYTLZBTGKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11-9-14(23(19-11)13-5-3-2-4-6-13)17-15(24)10-22-20-16(18-21-22)12-7-8-12/h9,12-13H,2-8,10H2,1H3,(H,17,24).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide has a molecular weight of 329.41 g/mol, XLogP of 2.20, 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-cyclopropyltetrazol-2-yl)acetamide is sourced from PubChem (CID 155536013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).