N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C19H25N3O2 — CID 99702183

IUPACN-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H25N3O2/c1-15(16-4-2-5-18(14-16)22-11-3-10-20-22)21-17-6-8-19(9-7-17)23-12-13-24-19/h2-5,10-11,14-15,17,21H,6-9,12-13H2,1H3/t15-/m1/s1
InChIKeyWQWDWBQIXWKHTB-OAHLLOKOSA-N
MW327.43 g/mol
LogP3.21
Rot. Bonds4

About N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 99702183) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID99702183
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H25N3O2/c1-15(16-4-2-5-18(14-16)22-11-3-10-20-22)21-17-6-8-19(9-7-17)23-12-13-24-19/h2-5,10-11,14-15,17,21H,6-9,12-13H2,1H3/t15-/m1/s1
InChIKeyWQWDWBQIXWKHTB-OAHLLOKOSA-N
XLogP3.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323181
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28623453
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62842188
3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788707
N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28683986
4-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120933167
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985562
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 97334226

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 99702183) is N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is C[C@@H](NC1CCC2(CC1)OCCO2)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is WQWDWBQIXWKHTB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(16-4-2-5-18(14-16)22-11-3-10-20-22)21-17-6-8-19(9-7-17)23-12-13-24-19/h2-5,10-11,14-15,17,21H,6-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 327.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 99702183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).