9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane

C18H32N4 — CID 56711506

IUPAC9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCC(C)(C)c1cc(CN2CCCC3(CCNCC3)CC2)[nH]n1
InChIInChI=1S/C18H32N4/c1-17(2,3)16-13-15(20-21-16)14-22-11-4-5-18(8-12-22)6-9-19-10-7-18/h13,19H,4-12,14H2,1-3H3,(H,20,21)
InChIKeyFBRKNELMCFHXBR-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.06
Rot. Bonds2

About 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane

9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane (PubChem CID 56711506) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane
PubChem CID56711506
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCC(C)(C)c1cc(CN2CCCC3(CCNCC3)CC2)[nH]n1
InChIInChI=1S/C18H32N4/c1-17(2,3)16-13-15(20-21-16)14-22-11-4-5-18(8-12-22)6-9-19-10-7-18/h13,19H,4-12,14H2,1-3H3,(H,20,21)
InChIKeyFBRKNELMCFHXBR-UHFFFAOYSA-N
XLogP3.06
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.06
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-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
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
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 50968757
(1S*,6R*)-3-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 50981681

Frequently Asked Questions

What is the IUPAC name of 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The IUPAC name of 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane (CID 56711506) is 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane.
What is the SMILES notation for 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The canonical SMILES for 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane is CC(C)(C)c1cc(CN2CCCC3(CCNCC3)CC2)[nH]n1.
What is the InChIKey of 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The InChIKey is FBRKNELMCFHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-17(2,3)16-13-15(20-21-16)14-22-11-4-5-18(8-12-22)6-9-19-10-7-18/h13,19H,4-12,14H2,1-3H3,(H,20,21).
What are the key properties of 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane has a molecular weight of 304.48 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56711506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).