N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C15H25N3O — CID 112696071

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2C(C)(C)C2(C)C)n[nH]1
InChIInChI=1S/C15H25N3O/c1-13(2,3)9-8-10(18-17-9)16-12(19)11-14(4,5)15(11,6)7/h8,11H,1-7H3,(H2,16,17,18,19)
InChIKeyZWSRFWDOZYGGKL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 112696071) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID112696071
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2C(C)(C)C2(C)C)n[nH]1
InChIInChI=1S/C15H25N3O/c1-13(2,3)9-8-10(18-17-9)16-12(19)11-14(4,5)15(11,6)7/h8,11H,1-7H3,(H2,16,17,18,19)
InChIKeyZWSRFWDOZYGGKL-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 112696071) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC(C)(C)c1cc(NC(=O)C2C(C)(C)C2(C)C)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is ZWSRFWDOZYGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2,3)9-8-10(18-17-9)16-12(19)11-14(4,5)15(11,6)7/h8,11H,1-7H3,(H2,16,17,18,19).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 112696071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).