N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

C18H28N4O — CID 138010740

IUPACN-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1ncc(C2CC2)c1CNC(=O)C1CNCC12CCCCC2
InChIInChI=1S/C18H28N4O/c1-22-16(14(9-21-22)13-5-6-13)11-20-17(23)15-10-19-12-18(15)7-3-2-4-8-18/h9,13,15,19H,2-8,10-12H2,1H3,(H,20,23)
InChIKeyGMEQQKJXSMOSIH-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.08
Rot. Bonds4

About N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 138010740) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID138010740
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1ncc(C2CC2)c1CNC(=O)C1CNCC12CCCCC2
InChIInChI=1S/C18H28N4O/c1-22-16(14(9-21-22)13-5-6-13)11-20-17(23)15-10-19-12-18(15)7-3-2-4-8-18/h9,13,15,19H,2-8,10-12H2,1H3,(H,20,23)
InChIKeyGMEQQKJXSMOSIH-UHFFFAOYSA-N
XLogP2.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (CID 138010740) is N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is Cn1ncc(C2CC2)c1CNC(=O)C1CNCC12CCCCC2.
What is the InChIKey of N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GMEQQKJXSMOSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-22-16(14(9-21-22)13-5-6-13)11-20-17(23)15-10-19-12-18(15)7-3-2-4-8-18/h9,13,15,19H,2-8,10-12H2,1H3,(H,20,23).
What are the key properties of N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 138010740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).