N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide

C18H21N3O — CID 71968697

IUPACN-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCn1nc(C2CCC2)cc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c1-21-16(12-15(20-21)13-6-5-7-13)19-17(22)18(10-11-18)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,19,22)
InChIKeyXEUJKRSHTJISTL-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.36
Rot. Bonds4

About N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide

N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 71968697) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
PubChem CID71968697
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCn1nc(C2CCC2)cc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c1-21-16(12-15(20-21)13-6-5-7-13)19-17(22)18(10-11-18)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,19,22)
InChIKeyXEUJKRSHTJISTL-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide (CID 71968697) is N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide is Cn1nc(C2CCC2)cc1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is XEUJKRSHTJISTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21-16(12-15(20-21)13-6-5-7-13)19-17(22)18(10-11-18)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,19,22).
What are the key properties of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide?
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 71968697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).