N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H24N4O — CID 38006853

IUPACN-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCCCC2)c1-n1cccc1
InChIInChI=1S/C17H24N4O/c1-20-17(21-11-7-8-12-21)15(13-18-20)16(22)19-14-9-5-3-2-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,19,22)
InChIKeyCFXVRXFMRJOTNS-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.05
Rot. Bonds3

About N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38006853) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38006853
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCCCC2)c1-n1cccc1
InChIInChI=1S/C17H24N4O/c1-20-17(21-11-7-8-12-21)15(13-18-20)16(22)19-14-9-5-3-2-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,19,22)
InChIKeyCFXVRXFMRJOTNS-UHFFFAOYSA-N
XLogP3.05
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38006853) is N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCCCCCC2)c1-n1cccc1.
What is the InChIKey of N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is CFXVRXFMRJOTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-17(21-11-7-8-12-21)15(13-18-20)16(22)19-14-9-5-3-2-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,19,22).
What are the key properties of N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38006853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).