2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

C15H23N3O — CID 115619904

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CC2CC3CCC2C3)n[nH]1
InChIInChI=1S/C15H23N3O/c1-2-3-13-9-14(18-17-13)16-15(19)8-12-7-10-4-5-11(12)6-10/h9-12H,2-8H2,1H3,(H2,16,17,18,19)
InChIKeySFTXVZIETLKKND-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115619904) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
PubChem CID115619904
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CC2CC3CCC2C3)n[nH]1
InChIInChI=1S/C15H23N3O/c1-2-3-13-9-14(18-17-13)16-15(19)8-12-7-10-4-5-11(12)6-10/h9-12H,2-8H2,1H3,(H2,16,17,18,19)
InChIKeySFTXVZIETLKKND-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112690355
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
2-(cyclopentylamino)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433550
2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide
CID 113456876
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 112687351
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 100573764
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 98588269
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (CID 115619904) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is CCCc1cc(NC(=O)CC2CC3CCC2C3)n[nH]1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SFTXVZIETLKKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-13-9-14(18-17-13)16-15(19)8-12-7-10-4-5-11(12)6-10/h9-12H,2-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115619904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).