5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide

C16H24ClN3O — CID 71068971

IUPAC5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide
SMILESCCC1(NC(=O)c2cnn(C)c2Cl)CC2CCCC(C2)C1
InChIInChI=1S/C16H24ClN3O/c1-3-16(8-11-5-4-6-12(7-11)9-16)19-15(21)13-10-18-20(2)14(13)17/h10-12H,3-9H2,1-2H3,(H,19,21)
InChIKeyINRSWRFWGJDGFJ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.55
Rot. Bonds3

About 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide

5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide (PubChem CID 71068971) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide
PubChem CID71068971
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide
SMILESCCC1(NC(=O)c2cnn(C)c2Cl)CC2CCCC(C2)C1
InChIInChI=1S/C16H24ClN3O/c1-3-16(8-11-5-4-6-12(7-11)9-16)19-15(21)13-10-18-20(2)14(13)17/h10-12H,3-9H2,1-2H3,(H,19,21)
InChIKeyINRSWRFWGJDGFJ-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide (CID 71068971) is 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide is CCC1(NC(=O)c2cnn(C)c2Cl)CC2CCCC(C2)C1.
What is the InChIKey of 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is INRSWRFWGJDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-16(8-11-5-4-6-12(7-11)9-16)19-15(21)13-10-18-20(2)14(13)17/h10-12H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide?
5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71068971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).