N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide

C15H21N5O — CID 90433935

IUPACN-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2[nH]ncc2CN(C)CCN)cc1
InChIInChI=1S/C15H21N5O/c1-11(21)18-14-5-3-12(4-6-14)15-13(9-17-19-15)10-20(2)8-7-16/h3-6,9H,7-8,10,16H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyODXXKUZDQBWZIJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.43
Rot. Bonds6

About N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide

N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide (PubChem CID 90433935) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
PubChem CID90433935
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2[nH]ncc2CN(C)CCN)cc1
InChIInChI=1S/C15H21N5O/c1-11(21)18-14-5-3-12(4-6-14)15-13(9-17-19-15)10-20(2)8-7-16/h3-6,9H,7-8,10,16H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyODXXKUZDQBWZIJ-UHFFFAOYSA-N
XLogP1.43
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86296138
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 86303224
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethylsulfonyl-N-methylethanamine
CID 166194678
N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303534
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
N,N'-dimethyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86271990
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 146733715
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86301376
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 166211654
2-methyl-3-[methyl-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]amino]propanoic acid
CID 122047080

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide (CID 90433935) is N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2[nH]ncc2CN(C)CCN)cc1.
What is the InChIKey of N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The InChIKey is ODXXKUZDQBWZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(21)18-14-5-3-12(4-6-14)15-13(9-17-19-15)10-20(2)8-7-16/h3-6,9H,7-8,10,16H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 90433935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).