2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane

C16H28N4 — CID 56705538

IUPAC2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)c1cc(CN2CCC3(CCNCC3)C2)[nH]n1
InChIInChI=1S/C16H28N4/c1-15(2,3)14-10-13(18-19-14)11-20-9-6-16(12-20)4-7-17-8-5-16/h10,17H,4-9,11-12H2,1-3H3,(H,18,19)
InChIKeyVAWZNVQKQMYBFJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.28
Rot. Bonds2

About 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56705538) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID56705538
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)c1cc(CN2CCC3(CCNCC3)C2)[nH]n1
InChIInChI=1S/C16H28N4/c1-15(2,3)14-10-13(18-19-14)11-20-9-6-16(12-20)4-7-17-8-5-16/h10,17H,4-9,11-12H2,1-3H3,(H,18,19)
InChIKeyVAWZNVQKQMYBFJ-UHFFFAOYSA-N
XLogP2.28
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
1-isobutyl-4-{1-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinyl}piperidine
CID 45194228
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-isopropyl-1H-pyrazol-5-yl)piperidine
CID 56710882
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
[(5-tert-butyl-1H-pyrazol-3-yl)methyl]methylamine dihydrochloride
CID 44236864
4-(3-methyl-1H-pyrazol-5-yl)piperidine dihydrochloride
CID 71757999
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464
Cambridge id 5152652
CID 786812

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 56705538) is 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane is CC(C)(C)c1cc(CN2CCC3(CCNCC3)C2)[nH]n1.
What is the InChIKey of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is VAWZNVQKQMYBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15(2,3)14-10-13(18-19-14)11-20-9-6-16(12-20)4-7-17-8-5-16/h10,17H,4-9,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 276.43 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56705538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).