N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide

C17H23N5O2 — CID 110121819

IUPACN-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C17H23N5O2/c1-13(23)18-8-9-19-17(24)15-6-4-5-7-16(15)22-12-14(10-20-22)11-21(2)3/h4-7,10,12H,8-9,11H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyKVUFMXZUQBOCEM-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.80
Rot. Bonds7

About N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide

N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide (PubChem CID 110121819) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
PubChem CID110121819
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C17H23N5O2/c1-13(23)18-8-9-19-17(24)15-6-4-5-7-16(15)22-12-14(10-20-22)11-21(2)3/h4-7,10,12H,8-9,11H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyKVUFMXZUQBOCEM-UHFFFAOYSA-N
XLogP0.80
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
CID 110121736
N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121689
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
CID 110121807
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 110121793
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 110121784
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 110121728
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 110121786
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
CID 110121771
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 110121715
1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone
CID 110121762

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide (CID 110121819) is N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide is CC(=O)NCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
The InChIKey is KVUFMXZUQBOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(23)18-8-9-19-17(24)15-6-4-5-7-16(15)22-12-14(10-20-22)11-21(2)3/h4-7,10,12H,8-9,11H2,1-3H3,(H,18,23)(H,19,24).
What are the key properties of N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 110121819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).