N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide

C18H24N4O — CID 154863649

IUPACN-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCCNCC1
InChIInChI=1S/C18H24N4O/c1-21(16-4-2-10-19-12-9-16)18(23)14-15-5-7-17(8-6-15)22-13-3-11-20-22/h3,5-8,11,13,16,19H,2,4,9-10,12,14H2,1H3
InChIKeyWCXLKQKXGZPKNB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.02
Rot. Bonds4

About N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide

N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 154863649) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID154863649
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCCNCC1
InChIInChI=1S/C18H24N4O/c1-21(16-4-2-10-19-12-9-16)18(23)14-15-5-7-17(8-6-15)22-13-3-11-20-22/h3,5-8,11,13,16,19H,2,4,9-10,12,14H2,1H3
InChIKeyWCXLKQKXGZPKNB-UHFFFAOYSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 68723933
N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
CID 175264909
N-methyl-N-piperidin-4-yl-2-pyridin-4-ylacetamide
CID 43602089
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86998215
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119441469
N-methyl-2-naphthalen-2-yl-N-piperidin-4-ylacetamide
CID 43602192
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 126768569
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 124589903

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide (CID 154863649) is N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide is CN(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is WCXLKQKXGZPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(16-4-2-10-19-12-9-16)18(23)14-15-5-7-17(8-6-15)22-13-3-11-20-22/h3,5-8,11,13,16,19H,2,4,9-10,12,14H2,1H3.
What are the key properties of N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide?
N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 154863649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).