2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide

C15H19ClN4O — CID 56786499

IUPAC2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccn(C)n1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O/c1-3-20(10-12-4-6-13(16)7-5-12)11-15(21)17-14-8-9-19(2)18-14/h4-9H,3,10-11H2,1-2H3,(H,17,18,21)
InChIKeyRWDSRGVPXZZNRI-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.53
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide

2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 56786499) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID56786499
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccn(C)n1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O/c1-3-20(10-12-4-6-13(16)7-5-12)11-15(21)17-14-8-9-19(2)18-14/h4-9H,3,10-11H2,1-2H3,(H,17,18,21)
InChIKeyRWDSRGVPXZZNRI-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methylpyrazol-3-yl)furan-2-carboxamide
CID 51237986
N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779586
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
3-[[2-[(4-chlorophenyl)methyl-ethylamino]acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 75445735
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
5-(aminomethyl)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 63722688
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46508552
2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
CID 24832638
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide
CID 91840008
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 91834462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide (CID 56786499) is 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide is CCN(CC(=O)Nc1ccn(C)n1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is RWDSRGVPXZZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-20(10-12-4-6-13(16)7-5-12)11-15(21)17-14-8-9-19(2)18-14/h4-9H,3,10-11H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 306.80 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-ethylamino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 56786499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).