N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide

C18H28N4O2 — CID 95899494

IUPACN-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H28N4O2/c23-17(21-9-7-18(8-10-21)5-1-2-6-18)20-15-12-19-22(13-15)14-16-4-3-11-24-16/h12-13,16H,1-11,14H2,(H,20,23)/t16-/m1/s1
InChIKeyZHDRSZQMYTXBMI-MRXNPFEDSA-N
MW332.45 g/mol
LogP3.25
Rot. Bonds3

About N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide

N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 95899494) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID95899494
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H28N4O2/c23-17(21-9-7-18(8-10-21)5-1-2-6-18)20-15-12-19-22(13-15)14-16-4-3-11-24-16/h12-13,16H,1-11,14H2,(H,20,23)/t16-/m1/s1
InChIKeyZHDRSZQMYTXBMI-MRXNPFEDSA-N
XLogP3.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide (CID 95899494) is N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCC2(CCCC2)CC1.
What is the InChIKey of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is ZHDRSZQMYTXBMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(21-9-7-18(8-10-21)5-1-2-6-18)20-15-12-19-22(13-15)14-16-4-3-11-24-16/h12-13,16H,1-11,14H2,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide?
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 95899494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).