N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C16H22N4O — CID 84613589

IUPACN-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1Cc1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C16H22N4O/c1-11-15(12(2)20(3)19-11)10-13-4-6-14(7-5-13)16(21)18-9-8-17/h4-7H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyIMULPZIKNWBOBM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.32
Rot. Bonds5

About N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 84613589) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID84613589
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1Cc1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C16H22N4O/c1-11-15(12(2)20(3)19-11)10-13-4-6-14(7-5-13)16(21)18-9-8-17/h4-7H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyIMULPZIKNWBOBM-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)benzamide
CID 25158261
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CID 135319024
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CID 2744532
Ab-chfupyca
CID 122213879
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
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CID 44224129
Dipeptidyl nitrile inhibitor, 23
CID 44224133
Dipeptidyl nitrile inhibitor, 26
CID 44224136
2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
CID 138756830

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 84613589) is N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1Cc1ccc(C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is IMULPZIKNWBOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-15(12(2)20(3)19-11)10-13-4-6-14(7-5-13)16(21)18-9-8-17/h4-7H,8-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 84613589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).