N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide

C16H22N4O — CID 115761611

IUPACN-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
SMILESCCn1nccc1CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H22N4O/c1-4-20-16(8-9-18-20)11-17-12(2)14-6-5-7-15(10-14)19-13(3)21/h5-10,12,17H,4,11H2,1-3H3,(H,19,21)
InChIKeyVKXRNLJBLOMDCD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.71
Rot. Bonds6

About N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide

N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide (PubChem CID 115761611) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
PubChem CID115761611
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
SMILESCCn1nccc1CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H22N4O/c1-4-20-16(8-9-18-20)11-17-12(2)14-6-5-7-15(10-14)19-13(3)21/h5-10,12,17H,4,11H2,1-3H3,(H,19,21)
InChIKeyVKXRNLJBLOMDCD-UHFFFAOYSA-N
XLogP2.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
N-[3-[(1R)-1-[(4-methoxy-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 99854055
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CID 115900103
N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
N-[3-[1-[[2-(ethoxymethyl)phenyl]methylamino]ethyl]phenyl]acetamide
CID 119164918
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide
CID 43096448
N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 115937822
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide (CID 115761611) is N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide is CCn1nccc1CNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide?
The InChIKey is VKXRNLJBLOMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-20-16(8-9-18-20)11-17-12(2)14-6-5-7-15(10-14)19-13(3)21/h5-10,12,17H,4,11H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 115761611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).