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

C19H21Cl2N7O — CID 155549507

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(Cl)c(Cl)c3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C19H21Cl2N7O/c1-12-9-17(28(24-12)14-5-3-2-4-6-14)22-18(29)11-27-25-19(23-26-27)13-7-8-15(20)16(21)10-13/h7-10,14H,2-6,11H2,1H3,(H,22,29)
InChIKeyYTBRXSPJBRXCGJ-UHFFFAOYSA-N
MW434.33 g/mol
LogP4.30
Rot. Bonds5

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

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 155549507) has the molecular formula C19H21Cl2N7O and a molecular weight of 434.33 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
PubChem CID155549507
Molecular FormulaC19H21Cl2N7O
Molecular Weight434.33 g/mol
Exact Mass433.12
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(Cl)c(Cl)c3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C19H21Cl2N7O/c1-12-9-17(28(24-12)14-5-3-2-4-6-14)22-18(29)11-27-25-19(23-26-27)13-7-8-15(20)16(21)10-13/h7-10,14H,2-6,11H2,1H3,(H,22,29)
InChIKeyYTBRXSPJBRXCGJ-UHFFFAOYSA-N
XLogP4.30
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 155526355
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N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide
CID 46998017
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N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide (CID 155549507) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccc(Cl)c(Cl)c3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is YTBRXSPJBRXCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N7O/c1-12-9-17(28(24-12)14-5-3-2-4-6-14)22-18(29)11-27-25-19(23-26-27)13-7-8-15(20)16(21)10-13/h7-10,14H,2-6,11H2,1H3,(H,22,29).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 434.33 g/mol, XLogP of 4.30, 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-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 155549507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).