N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide

C20H28N4O — CID 119619945

IUPACN-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NCCNC3CCCCCC3)cc2)c1
InChIInChI=1S/C20H28N4O/c1-16-14-23-24(15-16)19-10-8-17(9-11-19)20(25)22-13-12-21-18-6-4-2-3-5-7-18/h8-11,14-15,18,21H,2-7,12-13H2,1H3,(H,22,25)
InChIKeyVOSJGRNBKYATOP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide

N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 119619945) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID119619945
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NCCNC3CCCCCC3)cc2)c1
InChIInChI=1S/C20H28N4O/c1-16-14-23-24(15-16)19-10-8-17(9-11-19)20(25)22-13-12-21-18-6-4-2-3-5-7-18/h8-11,14-15,18,21H,2-7,12-13H2,1H3,(H,22,25)
InChIKeyVOSJGRNBKYATOP-UHFFFAOYSA-N
XLogP3.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55930394
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538733
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide (CID 119619945) is N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(=O)NCCNC3CCCCCC3)cc2)c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is VOSJGRNBKYATOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-14-23-24(15-16)19-10-8-17(9-11-19)20(25)22-13-12-21-18-6-4-2-3-5-7-18/h8-11,14-15,18,21H,2-7,12-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 119619945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).