9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane

C16H28N4 — CID 74248039

IUPAC9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCc1n[nH]c(C)c1CN1CCCC2(CCNCC2)CC1
InChIInChI=1S/C16H28N4/c1-13-15(14(2)19-18-13)12-20-10-3-4-16(7-11-20)5-8-17-9-6-16/h17H,3-12H2,1-2H3,(H,18,19)
InChIKeyQIHUDPYDCUADSF-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.38
Rot. Bonds2

About 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane

9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane (PubChem CID 74248039) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
PubChem CID74248039
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCc1n[nH]c(C)c1CN1CCCC2(CCNCC2)CC1
InChIInChI=1S/C16H28N4/c1-13-15(14(2)19-18-13)12-20-10-3-4-16(7-11-20)5-8-17-9-6-16/h17H,3-12H2,1-2H3,(H,18,19)
InChIKeyQIHUDPYDCUADSF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 77096135
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
9-[(2-methylpyrazol-3-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 131951949
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one
CID 112709136
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 86283580
(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97137305
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72899060
ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylpiperidine-4-carboxylate
CID 167744757
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 154866413
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 126838002
2-chloro-4-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)phenol;dihydrochloride
CID 154885693
2-cyclobutyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91922333

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The IUPAC name of 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane (CID 74248039) is 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane.
What is the SMILES notation for 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The canonical SMILES for 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane is Cc1n[nH]c(C)c1CN1CCCC2(CCNCC2)CC1.
What is the InChIKey of 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The InChIKey is QIHUDPYDCUADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-15(14(2)19-18-13)12-20-10-3-4-16(7-11-20)5-8-17-9-6-16/h17H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane has a molecular weight of 276.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane is sourced from PubChem (CID 74248039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).