2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide

C15H20N4O2 — CID 28664404

IUPAC2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
SMILESCc1nn(C)c(C)c1NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N4O2/c1-10-15(11(2)19(3)18-10)17-8-12-4-6-13(7-5-12)21-9-14(16)20/h4-7,17H,8-9H2,1-3H3,(H2,16,20)
InChIKeyXDONTOBENKIMER-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide

2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide (PubChem CID 28664404) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
PubChem CID28664404
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
SMILESCc1nn(C)c(C)c1NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N4O2/c1-10-15(11(2)19(3)18-10)17-8-12-4-6-13(7-5-12)21-9-14(16)20/h4-7,17H,8-9H2,1-3H3,(H2,16,20)
InChIKeyXDONTOBENKIMER-UHFFFAOYSA-N
XLogP1.51
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide
CID 35603276
4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 90786427
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide (CID 28664404) is 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide is Cc1nn(C)c(C)c1NCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is XDONTOBENKIMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-15(11(2)19(3)18-10)17-8-12-4-6-13(7-5-12)21-9-14(16)20/h4-7,17H,8-9H2,1-3H3,(H2,16,20).
What are the key properties of 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide?
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 28664404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).