N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C15H25N3O — CID 6623511

IUPACN-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C15H25N3O/c1-3-4-10-17(2)15(19)12-18-11-13-8-6-5-7-9-14(13)16-18/h11H,3-10,12H2,1-2H3
InChIKeyZQSIJFUDSVUDIE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.41
Rot. Bonds5

About N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 6623511) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID6623511
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C15H25N3O/c1-3-4-10-17(2)15(19)12-18-11-13-8-6-5-7-9-14(13)16-18/h11H,3-10,12H2,1-2H3
InChIKeyZQSIJFUDSVUDIE-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 6623511) is N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is CCCCN(C)C(=O)Cn1cc2c(n1)CCCCC2.
What is the InChIKey of N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is ZQSIJFUDSVUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-10-17(2)15(19)12-18-11-13-8-6-5-7-9-14(13)16-18/h11H,3-10,12H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 6623511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).