N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide

C15H19ClN4O — CID 115989688

IUPACN-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
SMILESCCc1nn(C)cc1CNCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H19ClN4O/c1-3-13-11(10-20(2)19-13)8-17-9-15(21)18-14-7-5-4-6-12(14)16/h4-7,10,17H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyQIQDYAXWIOKOMH-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.36
Rot. Bonds6

About N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide

N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide (PubChem CID 115989688) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
PubChem CID115989688
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
SMILESCCc1nn(C)cc1CNCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H19ClN4O/c1-3-13-11(10-20(2)19-13)8-17-9-15(21)18-14-7-5-4-6-12(14)16/h4-7,10,17H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyQIQDYAXWIOKOMH-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989605
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-methylphenyl)acetamide
CID 115989687
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-fluorophenyl)acetamide
CID 115885607
2-chloro-6-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112555032
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 112549530
N-(2-cyanoethyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
CID 112668879
4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
CID 115989561
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145
N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
CID 62640663
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide (CID 115989688) is N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide is CCc1nn(C)cc1CNCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is QIQDYAXWIOKOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-13-11(10-20(2)19-13)8-17-9-15(21)18-14-7-5-4-6-12(14)16/h4-7,10,17H,3,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide?
N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 306.80 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 115989688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).