N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide

C17H28N4O2 — CID 167931777

IUPACN-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)n1nccc1NC(=O)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)21-15(4-8-18-21)19-16(22)20-9-5-14(12-20)13-6-10-23-11-7-13/h4,8,13-14H,5-7,9-12H2,1-3H3,(H,19,22)
InChIKeyFLGACDOURNZMHU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.92
Rot. Bonds2

About N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide

N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 167931777) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
PubChem CID167931777
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)n1nccc1NC(=O)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)21-15(4-8-18-21)19-16(22)20-9-5-14(12-20)13-6-10-23-11-7-13/h4,8,13-14H,5-7,9-12H2,1-3H3,(H,19,22)
InChIKeyFLGACDOURNZMHU-UHFFFAOYSA-N
XLogP2.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide (CID 167931777) is N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide is CC(C)(C)n1nccc1NC(=O)N1CCC(C2CCOCC2)C1.
What is the InChIKey of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is FLGACDOURNZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)21-15(4-8-18-21)19-16(22)20-9-5-14(12-20)13-6-10-23-11-7-13/h4,8,13-14H,5-7,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167931777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).