2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

C14H16ClN3O — CID 115619750

IUPAC2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)Cc2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-2-5-11-9-13(18-17-11)16-14(19)8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18,19)
InChIKeyMDNMXECKJCNPMA-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115619750) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
PubChem CID115619750
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)Cc2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-2-5-11-9-13(18-17-11)16-14(19)8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18,19)
InChIKeyMDNMXECKJCNPMA-UHFFFAOYSA-N
XLogP3.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115619839
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide
CID 115672265
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (CID 115619750) is 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is CCCc1cc(NC(=O)Cc2ccccc2Cl)n[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is MDNMXECKJCNPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-5-11-9-13(18-17-11)16-14(19)8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 277.75 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115619750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).