N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C17H29N3O — CID 65294519

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCOC1CC(Nc2c(C)nn(C(C)C)c2C)C12CCC2
InChIInChI=1S/C17H29N3O/c1-6-21-15-10-14(17(15)8-7-9-17)18-16-12(4)19-20(11(2)3)13(16)5/h11,14-15,18H,6-10H2,1-5H3
InChIKeyAEJZUVCGQZYRGL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.84
Rot. Bonds5

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 65294519) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID65294519
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCOC1CC(Nc2c(C)nn(C(C)C)c2C)C12CCC2
InChIInChI=1S/C17H29N3O/c1-6-21-15-10-14(17(15)8-7-9-17)18-16-12(4)19-20(11(2)3)13(16)5/h11,14-15,18H,6-10H2,1-5H3
InChIKeyAEJZUVCGQZYRGL-UHFFFAOYSA-N
XLogP3.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 65294519) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is CCOC1CC(Nc2c(C)nn(C(C)C)c2C)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is AEJZUVCGQZYRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-21-15-10-14(17(15)8-7-9-17)18-16-12(4)19-20(11(2)3)13(16)5/h11,14-15,18H,6-10H2,1-5H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 65294519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).