2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide

C15H22N4O3 — CID 19283159

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H22N4O3/c1-10-6-14(19(21)22)17-18(10)5-4-16-15(20)9-13-8-11-2-3-12(13)7-11/h6,11-13H,2-5,7-9H2,1H3,(H,16,20)
InChIKeyKWNMZCMPTUBGHA-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.04
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (PubChem CID 19283159) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
PubChem CID19283159
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H22N4O3/c1-10-6-14(19(21)22)17-18(10)5-4-16-15(20)9-13-8-11-2-3-12(13)7-11/h6,11-13H,2-5,7-9H2,1H3,(H,16,20)
InChIKeyKWNMZCMPTUBGHA-UHFFFAOYSA-N
XLogP2.04
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (CID 19283159) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The InChIKey is KWNMZCMPTUBGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-6-14(19(21)22)17-18(10)5-4-16-15(20)9-13-8-11-2-3-12(13)7-11/h6,11-13H,2-5,7-9H2,1H3,(H,16,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 19283159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).