N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide

C20H22N4O — CID 167894254

IUPACN-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2ccc(C(=O)N(CCN)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C20H22N4O/c1-23-15-19(13-22-23)17-7-9-18(10-8-17)20(25)24(12-11-21)14-16-5-3-2-4-6-16/h2-10,13,15H,11-12,14,21H2,1H3
InChIKeyQFSAFAPUCGMJTB-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.69
Rot. Bonds6

About N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide

N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide (PubChem CID 167894254) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
PubChem CID167894254
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2ccc(C(=O)N(CCN)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C20H22N4O/c1-23-15-19(13-22-23)17-7-9-18(10-8-17)20(25)24(12-11-21)14-16-5-3-2-4-6-16/h2-10,13,15H,11-12,14,21H2,1H3
InChIKeyQFSAFAPUCGMJTB-UHFFFAOYSA-N
XLogP2.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
CID 62920452
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
CID 120649709
N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 120886218
N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020225
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 63755874
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 107493520
methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 55788913

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide (CID 167894254) is N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide is Cn1cc(-c2ccc(C(=O)N(CCN)Cc3ccccc3)cc2)cn1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is QFSAFAPUCGMJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-15-19(13-22-23)17-7-9-18(10-8-17)20(25)24(12-11-21)14-16-5-3-2-4-6-16/h2-10,13,15H,11-12,14,21H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide?
N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 167894254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).