N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C23H26N4O — CID 38283400

IUPACN-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C23H26N4O/c28-23(16-19-17-24-27(18-19)20-10-4-3-5-11-20)25-21-12-6-7-13-22(21)26-14-8-1-2-9-15-26/h3-7,10-13,17-18H,1-2,8-9,14-16H2,(H,25,28)
InChIKeyMBKXTJDSJJASSU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.43
Rot. Bonds5

About N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 38283400) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID38283400
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C23H26N4O/c28-23(16-19-17-24-27(18-19)20-10-4-3-5-11-20)25-21-12-6-7-13-22(21)26-14-8-1-2-9-15-26/h3-7,10-13,17-18H,1-2,8-9,14-16H2,(H,25,28)
InChIKeyMBKXTJDSJJASSU-UHFFFAOYSA-N
XLogP4.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 35359122
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134046181
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
2-(5-amino-2-pyridinyl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 120639469
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614536
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30752050

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 38283400) is N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is MBKXTJDSJJASSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(16-19-17-24-27(18-19)20-10-4-3-5-11-20)25-21-12-6-7-13-22(21)26-14-8-1-2-9-15-26/h3-7,10-13,17-18H,1-2,8-9,14-16H2,(H,25,28).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 38283400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).