N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide

C15H20N4O — CID 115761962

IUPACN-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
SMILESCCn1nccc1CNc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C15H20N4O/c1-4-19-14(7-8-17-19)10-16-13-5-6-15(11(2)9-13)18-12(3)20/h5-9,16H,4,10H2,1-3H3,(H,18,20)
InChIKeyLTDYXRIEZNBCJD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds5

About N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide

N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide (PubChem CID 115761962) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
PubChem CID115761962
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
SMILESCCn1nccc1CNc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C15H20N4O/c1-4-19-14(7-8-17-19)10-16-13-5-6-15(11(2)9-13)18-12(3)20/h5-9,16H,4,10H2,1-3H3,(H,18,20)
InChIKeyLTDYXRIEZNBCJD-UHFFFAOYSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 115762749
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide (CID 115761962) is N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide is CCn1nccc1CNc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is LTDYXRIEZNBCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19-14(7-8-17-19)10-16-13-5-6-15(11(2)9-13)18-12(3)20/h5-9,16H,4,10H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide?
N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 115761962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).