[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone

C19H29N3O3 — CID 97082037

IUPAC[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCC[C@H](C)n1ncc(C(=O)N2CCC3(CC2)OC[C@H](C)O3)c1C1CC1
InChIInChI=1S/C19H29N3O3/c1-4-13(2)22-17(15-5-6-15)16(11-20-22)18(23)21-9-7-19(8-10-21)24-12-14(3)25-19/h11,13-15H,4-10,12H2,1-3H3/t13-,14-/m0/s1
InChIKeyOFGLHJUYDGXLJM-KBPBESRZSA-N
MW347.46 g/mol
LogP3.10
Rot. Bonds4

About [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone

[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97082037) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97082037
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCC[C@H](C)n1ncc(C(=O)N2CCC3(CC2)OC[C@H](C)O3)c1C1CC1
InChIInChI=1S/C19H29N3O3/c1-4-13(2)22-17(15-5-6-15)16(11-20-22)18(23)21-9-7-19(8-10-21)24-12-14(3)25-19/h11,13-15H,4-10,12H2,1-3H3/t13-,14-/m0/s1
InChIKeyOFGLHJUYDGXLJM-KBPBESRZSA-N
XLogP3.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone 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 [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97082037) is [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone is CC[C@H](C)n1ncc(C(=O)N2CCC3(CC2)OC[C@H](C)O3)c1C1CC1.
What is the InChIKey of [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is OFGLHJUYDGXLJM-KBPBESRZSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-13(2)22-17(15-5-6-15)16(11-20-22)18(23)21-9-7-19(8-10-21)24-12-14(3)25-19/h11,13-15H,4-10,12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97082037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).