N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide

C15H23N3O — CID 164792338

IUPACN-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
SMILESCn1nc(NC(=O)C2CCC2)cc1C1CCCCC1
InChIInChI=1S/C15H23N3O/c1-18-13(11-6-3-2-4-7-11)10-14(17-18)16-15(19)12-8-5-9-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyTUXNZGQUFIBBAP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds3

About N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide

N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide (PubChem CID 164792338) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
PubChem CID164792338
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
SMILESCn1nc(NC(=O)C2CCC2)cc1C1CCCCC1
InChIInChI=1S/C15H23N3O/c1-18-13(11-6-3-2-4-7-11)10-14(17-18)16-15(19)12-8-5-9-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyTUXNZGQUFIBBAP-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide (CID 164792338) is N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide is Cn1nc(NC(=O)C2CCC2)cc1C1CCCCC1.
What is the InChIKey of N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide?
The InChIKey is TUXNZGQUFIBBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-13(11-6-3-2-4-7-11)10-14(17-18)16-15(19)12-8-5-9-12/h10-12H,2-9H2,1H3,(H,16,17,19).
What are the key properties of N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide?
N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 164792338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).