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

C21H25N5O — CID 155550114

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(-c3ccccc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C21H25N5O/c1-16-14-20(26(23-16)18-10-6-3-7-11-18)22-21(27)15-25-13-12-19(24-25)17-8-4-2-5-9-17/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,22,27)
InChIKeyZIXHBCUZRTYHKT-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.20
Rot. Bonds5

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

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide (PubChem CID 155550114) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide
PubChem CID155550114
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(-c3ccccc3)n2)n(C2CCCCC2)n1
InChIInChI=1S/C21H25N5O/c1-16-14-20(26(23-16)18-10-6-3-7-11-18)22-21(27)15-25-13-12-19(24-25)17-8-4-2-5-9-17/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,22,27)
InChIKeyZIXHBCUZRTYHKT-UHFFFAOYSA-N
XLogP4.20
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.20
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-(3-phenylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide (CID 155550114) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2ccc(-c3ccccc3)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide?
The InChIKey is ZIXHBCUZRTYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-14-20(26(23-16)18-10-6-3-7-11-18)22-21(27)15-25-13-12-19(24-25)17-8-4-2-5-9-17/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,22,27).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 4.20, 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-(3-phenylpyrazol-1-yl)acetamide is sourced from PubChem (CID 155550114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).