N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine

C15H25N3O — CID 65295088

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine
SMILESCCOC1CC(Nc2c(C)nn(C)c2C)C12CCC2
InChIInChI=1S/C15H25N3O/c1-5-19-13-9-12(15(13)7-6-8-15)16-14-10(2)17-18(4)11(14)3/h12-13,16H,5-9H2,1-4H3
InChIKeyDNWMVMKOFLNINM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.80
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 65295088) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID65295088
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine
SMILESCCOC1CC(Nc2c(C)nn(C)c2C)C12CCC2
InChIInChI=1S/C15H25N3O/c1-5-19-13-9-12(15(13)7-6-8-15)16-14-10(2)17-18(4)11(14)3/h12-13,16H,5-9H2,1-4H3
InChIKeyDNWMVMKOFLNINM-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.80
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)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine (CID 65295088) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine is CCOC1CC(Nc2c(C)nn(C)c2C)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is DNWMVMKOFLNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-19-13-9-12(15(13)7-6-8-15)16-14-10(2)17-18(4)11(14)3/h12-13,16H,5-9H2,1-4H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.80, 4 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)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 65295088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).