3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide

C17H27N3O2 — CID 97126258

IUPAC3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c(C)n1
InChIInChI=1S/C17H27N3O2/c1-3-9-20-11-15(13(2)19-20)16(21)18-14-10-17(22-12-14)7-5-4-6-8-17/h11,14H,3-10,12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyJAOUQWQNTQPOMN-AWEZNQCLSA-N
MW305.42 g/mol
LogP2.82
Rot. Bonds4

About 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide

3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide (PubChem CID 97126258) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
PubChem CID97126258
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c(C)n1
InChIInChI=1S/C17H27N3O2/c1-3-9-20-11-15(13(2)19-20)16(21)18-14-10-17(22-12-14)7-5-4-6-8-17/h11,14H,3-10,12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyJAOUQWQNTQPOMN-AWEZNQCLSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide (CID 97126258) is 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c(C)n1.
What is the InChIKey of 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide?
The InChIKey is JAOUQWQNTQPOMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-9-20-11-15(13(2)19-20)16(21)18-14-10-17(22-12-14)7-5-4-6-8-17/h11,14H,3-10,12H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide?
3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 97126258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).