N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide

C21H21N3O — CID 44563836

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(C3CC3)[nH]n2)ccc1-c1ccccc1
InChIInChI=1S/C21H21N3O/c1-14-11-15(7-10-18(14)16-5-3-2-4-6-16)12-21(25)22-20-13-19(23-24-20)17-8-9-17/h2-7,10-11,13,17H,8-9,12H2,1H3,(H2,22,23,24,25)
InChIKeyWRSFTFVJTOOSMY-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.44
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide (PubChem CID 44563836) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide
PubChem CID44563836
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(C3CC3)[nH]n2)ccc1-c1ccccc1
InChIInChI=1S/C21H21N3O/c1-14-11-15(7-10-18(14)16-5-3-2-4-6-16)12-21(25)22-20-13-19(23-24-20)17-8-9-17/h2-7,10-11,13,17H,8-9,12H2,1H3,(H2,22,23,24,25)
InChIKeyWRSFTFVJTOOSMY-UHFFFAOYSA-N
XLogP4.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide (CID 44563836) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide is Cc1cc(CC(=O)Nc2cc(C3CC3)[nH]n2)ccc1-c1ccccc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide?
The InChIKey is WRSFTFVJTOOSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-11-15(7-10-18(14)16-5-3-2-4-6-16)12-21(25)22-20-13-19(23-24-20)17-8-9-17/h2-7,10-11,13,17H,8-9,12H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-4-phenylphenyl)acetamide is sourced from PubChem (CID 44563836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).