(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane

C21H30N4 — CID 97274872

IUPAC(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)cn1
InChIInChI=1S/C21H30N4/c1-3-25-16-18(14-22-25)15-24-11-9-21(10-12-24)13-20(17-23(21)2)19-7-5-4-6-8-19/h4-8,14,16,20H,3,9-13,15,17H2,1-2H3/t20-/m1/s1
InChIKeyQRCADZOPQORHHH-HXUWFJFHSA-N
MW338.50 g/mol
LogP3.36
Rot. Bonds4

About (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane

(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane (PubChem CID 97274872) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane
PubChem CID97274872
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)cn1
InChIInChI=1S/C21H30N4/c1-3-25-16-18(14-22-25)15-24-11-9-21(10-12-24)13-20(17-23(21)2)19-7-5-4-6-8-19/h4-8,14,16,20H,3,9-13,15,17H2,1-2H3/t20-/m1/s1
InChIKeyQRCADZOPQORHHH-HXUWFJFHSA-N
XLogP3.36
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97282637
(4R)-2-ethyl-4-phenyl-9-[(1-prop-2-enylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97151517
(4S)-2-ethyl-4-phenyl-9-[(1-prop-2-enylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97151516
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
CID 72897502
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97272470
N-methyl-5-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-carboxamide
CID 72924876
methyl 2-[[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylate
CID 97280513
(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383971
(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97276503
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane
CID 124520492

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane (CID 97274872) is (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane is CCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)cn1.
What is the InChIKey of (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane?
The InChIKey is QRCADZOPQORHHH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4/c1-3-25-16-18(14-22-25)15-24-11-9-21(10-12-24)13-20(17-23(21)2)19-7-5-4-6-8-19/h4-8,14,16,20H,3,9-13,15,17H2,1-2H3/t20-/m1/s1.
What are the key properties of (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane?
(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane has a molecular weight of 338.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97274872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).