N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide

C22H27N5O — CID 46998017

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(C)c(-c3ccccc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C22H27N5O/c1-16-14-26(25-22(16)18-9-5-3-6-10-18)15-21(28)23-20-13-17(2)24-27(20)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19H,4,7-8,11-12,15H2,1-2H3,(H,23,28)
InChIKeyUGXSWRKYLAQQHR-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.51
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide (PubChem CID 46998017) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide
PubChem CID46998017
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(C)c(-c3ccccc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C22H27N5O/c1-16-14-26(25-22(16)18-9-5-3-6-10-18)15-21(28)23-20-13-17(2)24-27(20)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19H,4,7-8,11-12,15H2,1-2H3,(H,23,28)
InChIKeyUGXSWRKYLAQQHR-UHFFFAOYSA-N
XLogP4.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide (CID 46998017) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2cc(C)c(-c3ccccc3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide?
The InChIKey is UGXSWRKYLAQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-14-26(25-22(16)18-9-5-3-6-10-18)15-21(28)23-20-13-17(2)24-27(20)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19H,4,7-8,11-12,15H2,1-2H3,(H,23,28).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide is sourced from PubChem (CID 46998017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).