N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide

C19H25ClN4O — CID 56832365

IUPACN-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCCCC2c2c(Cl)cnn2C)cc1
InChIInChI=1S/C19H25ClN4O/c1-14(25)22-16-9-7-15(8-10-16)13-24-11-5-3-4-6-18(24)19-17(20)12-21-23(19)2/h7-10,12,18H,3-6,11,13H2,1-2H3,(H,22,25)
InChIKeyAKJMMYOMQIEFHU-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.15
Rot. Bonds4

About N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide

N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide (PubChem CID 56832365) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide
PubChem CID56832365
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCCCC2c2c(Cl)cnn2C)cc1
InChIInChI=1S/C19H25ClN4O/c1-14(25)22-16-9-7-15(8-10-16)13-24-11-5-3-4-6-18(24)19-17(20)12-21-23(19)2/h7-10,12,18H,3-6,11,13H2,1-2H3,(H,22,25)
InChIKeyAKJMMYOMQIEFHU-UHFFFAOYSA-N
XLogP4.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloro-1-methylpyrazol-5-yl)-1-[(3-methoxyphenyl)methyl]azepane
CID 92565979
N-[4-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]phenyl]acetamide
CID 99957918
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 92616857
1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 94806275
1-[2-[(2S)-1-[(4-acetamidophenyl)methyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26345856
4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361212
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745496
5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 112828644

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide (CID 56832365) is N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCCCCC2c2c(Cl)cnn2C)cc1.
What is the InChIKey of N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide?
The InChIKey is AKJMMYOMQIEFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-14(25)22-16-9-7-15(8-10-16)13-24-11-5-3-4-6-18(24)19-17(20)12-21-23(19)2/h7-10,12,18H,3-6,11,13H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide?
N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide has a molecular weight of 360.89 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 56832365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).