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

C20H26N4O — CID 119637530

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCCc1c(C(=O)N2CCC3CCC(C2)N3)cnn1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c1-2-19-18(12-21-24(19)13-15-6-4-3-5-7-15)20(25)23-11-10-16-8-9-17(14-23)22-16/h3-7,12,16-17,22H,2,8-11,13-14H2,1H3
InChIKeyJCGQWEGXLKFAFJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.46
Rot. Bonds4

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

(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 119637530) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID119637530
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCCc1c(C(=O)N2CCC3CCC(C2)N3)cnn1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c1-2-19-18(12-21-24(19)13-15-6-4-3-5-7-15)20(25)23-11-10-16-8-9-17(14-23)22-16/h3-7,12,16-17,22H,2,8-11,13-14H2,1H3
InChIKeyJCGQWEGXLKFAFJ-UHFFFAOYSA-N
XLogP2.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637028
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 120814271
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887521
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 78873697
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 119637530) is (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CCc1c(C(=O)N2CCC3CCC(C2)N3)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is JCGQWEGXLKFAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-19-18(12-21-24(19)13-15-6-4-3-5-7-15)20(25)23-11-10-16-8-9-17(14-23)22-16/h3-7,12,16-17,22H,2,8-11,13-14H2,1H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 119637530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).