6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide

C15H23ClN4O — CID 138011130

IUPAC6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide
SMILESCC(C)n1cc(Cl)c(NC(=O)C2CC23CCC(N)CC3)n1
InChIInChI=1S/C15H23ClN4O/c1-9(2)20-8-12(16)13(19-20)18-14(21)11-7-15(11)5-3-10(17)4-6-15/h8-11H,3-7,17H2,1-2H3,(H,18,19,21)
InChIKeyLRLOMRFVJUCSEA-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.96
Rot. Bonds3

About 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide

6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide (PubChem CID 138011130) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide
PubChem CID138011130
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide
SMILESCC(C)n1cc(Cl)c(NC(=O)C2CC23CCC(N)CC3)n1
InChIInChI=1S/C15H23ClN4O/c1-9(2)20-8-12(16)13(19-20)18-14(21)11-7-15(11)5-3-10(17)4-6-15/h8-11H,3-7,17H2,1-2H3,(H,18,19,21)
InChIKeyLRLOMRFVJUCSEA-UHFFFAOYSA-N
XLogP2.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide (CID 138011130) is 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide is CC(C)n1cc(Cl)c(NC(=O)C2CC23CCC(N)CC3)n1.
What is the InChIKey of 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide?
The InChIKey is LRLOMRFVJUCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-9(2)20-8-12(16)13(19-20)18-14(21)11-7-15(11)5-3-10(17)4-6-15/h8-11H,3-7,17H2,1-2H3,(H,18,19,21).
What are the key properties of 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide?
6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 138011130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).