N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide

C15H20N4O — CID 71968112

IUPACN-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NCc1ccn[nH]1)C(C)=O
InChIInChI=1S/C15H20N4O/c1-3-19(12(2)20)11-13-6-4-5-7-15(13)16-10-14-8-9-17-18-14/h4-9,16H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyVWNZZXBRYATPSK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds6

About N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide

N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide (PubChem CID 71968112) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide
PubChem CID71968112
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NCc1ccn[nH]1)C(C)=O
InChIInChI=1S/C15H20N4O/c1-3-19(12(2)20)11-13-6-4-5-7-15(13)16-10-14-8-9-17-18-14/h4-9,16H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyVWNZZXBRYATPSK-UHFFFAOYSA-N
XLogP2.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide
CID 71913720
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
2-methyl-3-(1H-pyrazol-5-ylmethylamino)benzoic acid
CID 43737364
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
2-fluoro-N-(1H-pyrazol-5-ylmethyl)pyridin-3-amine
CID 164653541
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 86826316
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide
CID 122150236
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide (CID 71968112) is N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide is CCN(Cc1ccccc1NCc1ccn[nH]1)C(C)=O.
What is the InChIKey of N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide?
The InChIKey is VWNZZXBRYATPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19(12(2)20)11-13-6-4-5-7-15(13)16-10-14-8-9-17-18-14/h4-9,16H,3,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide?
N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 71968112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).