N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide

C14H17ClN4O — CID 63302325

IUPACN-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCc1ccnn1C
InChIInChI=1S/C14H17ClN4O/c1-10-3-4-11(15)7-13(10)18-14(20)9-16-8-12-5-6-17-19(12)2/h3-7,16H,8-9H2,1-2H3,(H,18,20)
InChIKeyKYPJJYRSEUETJZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.11
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide (PubChem CID 63302325) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
PubChem CID63302325
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCc1ccnn1C
InChIInChI=1S/C14H17ClN4O/c1-10-3-4-11(15)7-13(10)18-14(20)9-16-8-12-5-6-17-19(12)2/h3-7,16H,8-9H2,1-2H3,(H,18,20)
InChIKeyKYPJJYRSEUETJZ-UHFFFAOYSA-N
XLogP2.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43663113
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CID 43405190
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
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N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 62118270
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
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N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
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5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972
N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
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CID 79352093

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide (CID 63302325) is N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNCc1ccnn1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide?
The InChIKey is KYPJJYRSEUETJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10-3-4-11(15)7-13(10)18-14(20)9-16-8-12-5-6-17-19(12)2/h3-7,16H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 63302325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).