2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide

C14H16ClN3O — CID 2120347

IUPAC2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide
SMILESCCCc1cc(NC(=O)CCl)n(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3O/c1-2-6-11-9-13(16-14(19)10-15)18(17-11)12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3,(H,16,19)
InChIKeyJFZBHJLHWLTYRN-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.00
Rot. Bonds5

About 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide

2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide (PubChem CID 2120347) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide
PubChem CID2120347
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide
SMILESCCCc1cc(NC(=O)CCl)n(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3O/c1-2-6-11-9-13(16-14(19)10-15)18(17-11)12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3,(H,16,19)
InChIKeyJFZBHJLHWLTYRN-UHFFFAOYSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ML297
CID 56642816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide
CID 2452200
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)acetamide
CID 2369606
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 2453580
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 770920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide (CID 2120347) is 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide is CCCc1cc(NC(=O)CCl)n(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide?
The InChIKey is JFZBHJLHWLTYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-6-11-9-13(16-14(19)10-15)18(17-11)12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide?
2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide has a molecular weight of 277.76 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenyl-3-propylpyrazol-5-yl)acetamide is sourced from PubChem (CID 2120347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).