N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide

C15H20N4O — CID 62127943

IUPACN-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
SMILESCCn1cc(CNCC(=O)NCc2ccccc2)cn1
InChIInChI=1S/C15H20N4O/c1-2-19-12-14(10-18-19)8-16-11-15(20)17-9-13-6-4-3-5-7-13/h3-7,10,12,16H,2,8-9,11H2,1H3,(H,17,20)
InChIKeyYQPIHDKZVJDTCL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds7

About N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide

N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 62127943) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
PubChem CID62127943
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
SMILESCCn1cc(CNCC(=O)NCc2ccccc2)cn1
InChIInChI=1S/C15H20N4O/c1-2-19-12-14(10-18-19)8-16-11-15(20)17-9-13-6-4-3-5-7-13/h3-7,10,12,16H,2,8-9,11H2,1H3,(H,17,20)
InChIKeyYQPIHDKZVJDTCL-UHFFFAOYSA-N
XLogP1.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 26411426
2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
CID 19524572
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
(E)-3-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 19290554
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide (CID 62127943) is N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide is CCn1cc(CNCC(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is YQPIHDKZVJDTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-19-12-14(10-18-19)8-16-11-15(20)17-9-13-6-4-3-5-7-13/h3-7,10,12,16H,2,8-9,11H2,1H3,(H,17,20).
What are the key properties of N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide?
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 62127943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).