4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide

C15H25N3O — CID 35273520

IUPAC4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCn1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-7-5-11(6-8-12)14(19)16-13-9-10-18(4)17-13/h9-12H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyNJTJLDUSCGJCNU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds2

About 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 35273520) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID35273520
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCn1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-7-5-11(6-8-12)14(19)16-13-9-10-18(4)17-13/h9-12H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyNJTJLDUSCGJCNU-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide (CID 35273520) is 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide is Cn1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is NJTJLDUSCGJCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)12-7-5-11(6-8-12)14(19)16-13-9-10-18(4)17-13/h9-12H,5-8H2,1-4H3,(H,16,17,19).
What are the key properties of 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 35273520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).