2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide

C20H26N6O — CID 110121807

IUPAC2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
SMILESCc1nccn1CCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C20H26N6O/c1-16-21-10-12-25(16)11-6-9-22-20(27)18-7-4-5-8-19(18)26-15-17(13-23-26)14-24(2)3/h4-5,7-8,10,12-13,15H,6,9,11,14H2,1-3H3,(H,22,27)
InChIKeyCDYHTABRCRBXPU-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.26
Rot. Bonds8

About 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide

2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide (PubChem CID 110121807) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
PubChem CID110121807
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
SMILESCc1nccn1CCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C20H26N6O/c1-16-21-10-12-25(16)11-6-9-22-20(27)18-7-4-5-8-19(18)26-15-17(13-23-26)14-24(2)3/h4-5,7-8,10,12-13,15H,6,9,11,14H2,1-3H3,(H,22,27)
InChIKeyCDYHTABRCRBXPU-UHFFFAOYSA-N
XLogP2.26
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121819
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-(2-methoxyethyl)-N-methylbenzamide
CID 110121793
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 110121784
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
CID 120647272
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
CID 55959114
4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide
CID 172656279
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 110121728
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide (CID 110121807) is 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide is Cc1nccn1CCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
The InChIKey is CDYHTABRCRBXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-21-10-12-25(16)11-6-9-22-20(27)18-7-4-5-8-19(18)26-15-17(13-23-26)14-24(2)3/h4-5,7-8,10,12-13,15H,6,9,11,14H2,1-3H3,(H,22,27).
What are the key properties of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 110121807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).