1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide

C15H22N4O3 — CID 164629503

IUPAC1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCOC3(CCCC3)C2)c(C(N)=O)n1
InChIInChI=1S/C15H22N4O3/c1-19-9-11(12(18-19)13(16)20)17-14(21)10-4-7-22-15(8-10)5-2-3-6-15/h9-10H,2-8H2,1H3,(H2,16,20)(H,17,21)/t10-/m0/s1
InChIKeySPBZVGWZDXHZSW-JTQLQIEISA-N
MW306.37 g/mol
LogP1.20
Rot. Bonds3

About 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide

1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 164629503) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide
PubChem CID164629503
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCOC3(CCCC3)C2)c(C(N)=O)n1
InChIInChI=1S/C15H22N4O3/c1-19-9-11(12(18-19)13(16)20)17-14(21)10-4-7-22-15(8-10)5-2-3-6-15/h9-10H,2-8H2,1H3,(H2,16,20)(H,17,21)/t10-/m0/s1
InChIKeySPBZVGWZDXHZSW-JTQLQIEISA-N
XLogP1.20
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide (CID 164629503) is 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide is Cn1cc(NC(=O)[C@H]2CCOC3(CCCC3)C2)c(C(N)=O)n1.
What is the InChIKey of 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is SPBZVGWZDXHZSW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O3/c1-19-9-11(12(18-19)13(16)20)17-14(21)10-4-7-22-15(8-10)5-2-3-6-15/h9-10H,2-8H2,1H3,(H2,16,20)(H,17,21)/t10-/m0/s1.
What are the key properties of 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide?
1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(9S)-6-oxaspiro[4.5]decane-9-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 164629503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).