(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C17H28N4O — CID 119637028

IUPAC(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCCc1c(C(=O)N2CCC3CCC(C2)N3)cnn1C(C)(C)C
InChIInChI=1S/C17H28N4O/c1-5-15-14(10-18-21(15)17(2,3)4)16(22)20-9-8-12-6-7-13(11-20)19-12/h10,12-13,19H,5-9,11H2,1-4H3
InChIKeySOZXWIMRPJFLJM-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds2

About (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 119637028) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID119637028
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCCc1c(C(=O)N2CCC3CCC(C2)N3)cnn1C(C)(C)C
InChIInChI=1S/C17H28N4O/c1-5-15-14(10-18-21(15)17(2,3)4)16(22)20-9-8-12-6-7-13(11-20)19-12/h10,12-13,19H,5-9,11H2,1-4H3
InChIKeySOZXWIMRPJFLJM-UHFFFAOYSA-N
XLogP2.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone with MolForge

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 119518724
(1-tert-butyl-5-ethylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646155
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 125146165
(1-tert-butyl-5-ethylpyrazol-4-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120833236
(1-tert-butylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635107
[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone;hydrochloride
CID 154886724
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119639343
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone;hydrochloride
CID 120742000
(1-tert-butyl-5-ethylpyrazol-4-yl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447475
(1-tert-butyl-5-ethylpyrazol-4-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 100701114

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 119637028) is (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CCc1c(C(=O)N2CCC3CCC(C2)N3)cnn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is SOZXWIMRPJFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-5-15-14(10-18-21(15)17(2,3)4)16(22)20-9-8-12-6-7-13(11-20)19-12/h10,12-13,19H,5-9,11H2,1-4H3.
What are the key properties of (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 119637028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).